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Lista de obras de Jens Meiler

3D-QSAR CoMFA study of benzoxazepine derivatives as mGluR5 positive allosteric modulators

artículo científico publicado en 2010

<scp>MutationExplorer</scp>: a webserver for mutation of proteins and 3D visualization of energetic impacts

artículo científico publicado en 2024

A Conserved Hydrophobic Core in Gαi1 Regulates G Protein Activation and Release from Activated Receptor

artículo científico publicado en 2016

A Conserved Phenylalanine as a Relay between the  5 Helix and the GDP Binding Region of Heterotrimeric Gi Protein   Subunit

artículo científico publicado en 2014

A Correspondence Between Solution-State Dynamics of an Individual Protein and the Sequence and Conformational Diversity of its Family

artículo científico publicado en 2009

A Deep Hydrophobic Binding Cavity is the Main Interaction for Different Y2 R Antagonists.

artículo científico publicado en 2016

A Derived Allosteric Switch Underlies the Evolution of Conditional Cooperativity between HOXA11 and FOXO1.

artículo científico publicado en 2016

A Newly Discovered TSHR Variant (L665F) Associated With Nonautoimmune Hyperthyroidism in an Austrian Family Induces Constitutive TSHR Activation by Steric Repulsion Between TM1 and TM7

artículo científico publicado en 2014

A Structural Study of CESA1 Catalytic Domain of Arabidopsis Cellulose Synthesis Complex: Evidence for CESA Trimers

artículo científico publicado en 2015

A Thorough Dynamic Interpretation of Residual Dipolar Couplings in Ubiquitin

artículo científico publicado en 2006

A conserved asparagine residue in transmembrane segment 1 (TM1) of serotonin transporter dictates chloride-coupled neurotransmitter transport

artículo científico publicado en 2011

A model for the solution structure of the rod arrestin tetramer

artículo científico publicado en 2008

A new approach for applying residual dipolar couplings as restraints in structure elucidation

artículo científico publicado en 2000

A physical model for PDZ-domain/peptide interactions.

artículo científico publicado en 2010

A structural model of the complex formed by phospholamban and the calcium pump of sarcoplasmic reticulum obtained by molecular mechanics

artículo científico publicado en 2002

A unified hydrophobicity scale for multispan membrane proteins

artículo científico publicado en 2009

A unified structural model of the mammalian translocator protein (TSPO)

scientific article published on 26 June 2019

Ab initio protein modeling into CryoEM density maps using EM-Fold

artículo científico publicado en 2012

Accessing ns-micros side chain dynamics in ubiquitin with methyl RDCs

artículo científico publicado en 2009

Accurate Prediction of Contact Numbers for Multi-Spanning Helical Membrane Proteins.

artículo científico publicado en 2016

Addendum to “Using neural networks for 13C NMR chemical shift prediction—comparison with traditional methods” [J. Magn. Reson. 157 (2002) 242–252]

Algorithm for selection of optimized EPR distance restraints for de novo protein structure determination

artículo científico publicado en 2010

Allosteric modulation of metabotropic glutamate receptors: structural insights and therapeutic potential

scientific article published on 14 July 2010

An Acquired HER2T798I Gatekeeper Mutation Induces Resistance to Neratinib in a Patient with HER2 Mutant-Driven Breast Cancer.

artículo científico publicado en 2017

An Investigation of Three-Finger Toxin-nAChR Interactions through Rosetta Protein Docking

scientific article published on 16 September 2020

An allosteric mechanism for drug block of the human cardiac potassium channel KCNQ1.

artículo científico publicado en 2012

Analysis of nidogen-1/laminin γ1 interaction by cross-linking, mass spectrometry, and computational modeling reveals multiple binding modes

artículo científico publicado en 2014

Antibodies: Computer-Aided Prediction of Structure and Design of Function.

artículo científico publicado en 2014

Assessing multiple score functions in Rosetta for drug discovery

artículo científico publicado en 2020

Assessment and challenges of ligand docking into comparative models of G-protein coupled receptors

artículo científico publicado en 2013

Autocorrelation descriptor improvements for QSAR: 2DA_Sign and 3DA_Sign

artículo científico publicado en 2015

Automated structure elucidation of organic molecules from (13)c NMR spectra using genetic algorithms and neural networks

artículo científico publicado en 2001

BCL::Align-sequence alignment and fold recognition with a custom scoring function online

artículo científico publicado en 2008

BCL::Conf: small molecule conformational sampling using a knowledge based rotamer library

artículo científico publicado en 2015

BCL::EM-Fit: rigid body fitting of atomic structures into density maps using geometric hashing and real space refinement

artículo científico publicado en 2011

BCL::EMAS--enantioselective molecular asymmetry descriptor for 3D-QSAR.

artículo científico

BCL::Fold--de novo prediction of complex and large protein topologies by assembly of secondary structure elements

artículo científico publicado en 2012

BCL::Fold--protein topology determination from limited NMR restraints.

artículo científico publicado en 2013

BCL::MP-fold: Membrane protein structure prediction guided by EPR restraints ⬇️

artículo científico publicado en 2015

BCL::MP-fold: folding membrane proteins through assembly of transmembrane helices

artículo científico publicado en 2013

BCL::Mol2D-a robust atom environment descriptor for QSAR modeling and lead optimization

artículo científico publicado en 2019

BCL::MolAlign: Three-Dimensional Small Molecule Alignment for Pharmacophore Mapping

artículo científico publicado en 2019

BCL::SAXS: GPU accelerated Debye method for computation of small angle X-ray scattering profiles

artículo científico publicado en 2015

BCL::Score--knowledge based energy potentials for ranking protein models represented by idealized secondary structure elements

artículo científico publicado en 2012

BCL::contact-low confidence fold recognition hits boost protein contact prediction and de novo structure determination.

artículo científico publicado en 2010

Benchmarking ligand-based virtual High-Throughput Screening with the PubChem database

artículo científico publicado en 2013

Better together: Elements of successful scientific software development in a distributed collaborative community

scientific article published on 04 May 2020

Bound to be different: neurotransmitter transporters meet their bacterial cousins

artículo científico publicado en 2007

CASP10-BCL::Fold efficiently samples topologies of large proteins.

artículo científico publicado en 2015

CASP11--An Evaluation of a Modular BCL::Fold-Based Protein Structure Prediction Pipeline.

artículo científico publicado en 2016

CASP6 assessment of contact prediction.

artículo científico publicado en 2005

Carbon and amide detect backbone assignment methods of a novel repeat protein from the staphylocoagulase in S. aureus

artículo científico publicado en 2017

Cellular manganese content is developmentally regulated in human dopaminergic neurons

artículo científico publicado en 2014

Characterization and modeling of the oligomeric state and ligand binding behavior of purified translocator protein 18 kDa from Rhodobacter sphaeroides

artículo científico publicado en 2013

Characterization of the Domain Orientations of E. coli 5'-Nucleotidase by Fitting an Ensemble of Conformers to DEER Distance Distributions

artículo científico publicado en 2015

Comparative modeling and docking of chemokine-receptor interactions with Rosetta

artículo científico publicado en 2020

Comprehensive Analysis of Constraint on the Spatial Distribution of Missense Variants in Human Protein Structures

artículo científico publicado en 2018

Computational and functional analyses of a small-molecule binding site in ROMK.

artículo científico publicado en 2015

Computational design of an endo-1,4- -xylanase ligand binding site

artículo científico publicado en 2011

Computational design of membrane proteins using RosettaMembrane.

artículo científico publicado en 2017

Computational design of protein-ligand interfaces: potential in therapeutic development

artículo científico publicado en 2011

Computational design of protein-small molecule interfaces

artículo científico publicado en 2013

Computational determination of the orientation of a heat repeat-like domain of DNA-PKcs

artículo científico publicado en 2012

Computational identification of HCV neutralizing antibodies with a common HCDR3 disulfide bond motif in the antibody repertoires of infected individuals

artículo científico publicado en 2022

Computational methods in drug discovery

artículo científico publicado en 2014

Computational modeling of laminin N-terminal domains using sparse distance constraints from disulfide bonds and chemical cross-linking

artículo científico publicado en 2010

Computational redesign of a fluorogen activating protein with Rosetta

artículo científico publicado en 2021

Computationally Designed Cyclic Peptides Derived from an Antibody Loop Increase Breadth of Binding for Influenza Variants

artículo científico publicado en 2020

Conformation of receptor-bound visual arrestin

artículo científico publicado en 2012

Conformational Shift of a β-Hairpin Peptide upon Complex Formation with an Oligo-proline Peptide Studied by Mass Spectrometry

scientific article published on 19 August 2016

Conformational flexibility and structural dynamics in GPCR-mediated G protein activation: a perspective

artículo científico publicado en 2013

Consensus queries in ligand-based virtual screening experiments

artículo científico publicado en 2017

Contribution of Cotranslational Folding Defects to Membrane Protein Homeostasis

artículo científico publicado en 2018

Correction: An Acquired HER2 T798I Gatekeeper Mutation Induces Resistance to Neratinib in a Patient with HER2 Mutant-Driven Breast Cancer

scientific article published on 01 February 2019

Correction: PIK3CA C2 Domain Deletions Hyperactivate Phosphoinositide 3-kinase (PI3K), Generate Oncogene Dependence, and Are Exquisitely Sensitive to PI3Kα Inhibitors

artículo científico publicado en 2019

Coupled prediction of protein secondary and tertiary structure

artículo científico publicado en 2003

De novo high-resolution protein structure determination from sparse spin-labeling EPR data.

artículo científico publicado en 2008

Delineating the Molecular Basis of the Calmodulin‒bMunc13-2 Interaction by Cross-Linking/Mass Spectrometry-Evidence for a Novel CaM Binding Motif in bMunc13-2

scientific article published on 07 January 2020

Design and directed evolution of a dideoxy purine nucleoside phosphorylase

artículo científico publicado en 2010

Design of Protein Multi-specificity Using an Independent Sequence Search Reduces the Barrier to Low Energy Sequences

artículo científico publicado en 2015

Design of native-like proteins through an exposure-dependent environment potential

artículo científico publicado en 2011

Determination of aliphatic side-chain conformation using cross-correlated relaxation: application to an extraordinarily stable 2'-aminoethoxy-modified oligonucleotide triplex

artículo científico publicado en 2001

Development of Erasin: a chromone-based STAT3 inhibitor which induces apoptosis in Erlotinib-resistant lung cancer cells

artículo científico publicado en 2017

Development of a selective small-molecule inhibitor of Kir1.1, the renal outer medullary potassium channel

artículo científico publicado en 2010

DiB-splits: nature-guided design of a novel fluorescent labeling split system

scientific article published on 06 July 2020

DipoCoup: A versatile program for 3D-structure homology comparison based on residual dipolar couplings and pseudocontact shifts

artículo científico publicado en 2000

Dipolar couplings in multiple alignments suggest alpha helical motion in ubiquitin

artículo científico publicado en 2003

Discoidin domain receptor 1 (DDR1) kinase as target for structure-based drug discovery

artículo científico publicado en 2015

Discoidin domain receptor 1 kinase activity is required for regulating collagen IV synthesis

artículo científico publicado en 2016

Discovery and characterization of novel subtype-selective allosteric agonists for the investigation of M(1) receptor function in the central nervous system

artículo científico publicado en 2010

Discovery of 2-(2-benzoxazoyl amino)-4-aryl-5-cyanopyrimidine as negative allosteric modulators (NAMs) of metabotropic glutamate receptor 5 (mGlu₅): from an artificial neural network virtual screen to an in vivo tool compound

artículo científico publicado en 2012

Discovery of Marburg virus neutralizing antibodies from virus-naïve human antibody repertoires using large-scale structural predictions

scientific article published on 23 November 2020

Discovery of Small-Molecule Modulators of the Human Y4 Receptor

artículo científico publicado en 2016

Discovery, Characterization, and Effects on Renal Fluid and Electrolyte Excretion of the Kir4.1 Potassium Channel Pore Blocker, VU0134992

artículo científico publicado en 2018

Documentation of an Imperative To Improve Methods for Predicting Membrane Protein Stability

artículo científico publicado en 2016

EGFR Fusions as Novel Therapeutic Targets in Lung Cancer

artículo científico publicado en 2016

EGFR Kinase Domain Duplication (EGFR-KDD) Is a Novel Oncogenic Driver in Lung Cancer That Is Clinically Responsive to Afatinib

artículo científico publicado en 2015

EM-fold: De novo folding of alpha-helical proteins guided by intermediate-resolution electron microscopy density maps.

artículo científico publicado en 2009

EM-fold: de novo atomic-detail protein structure determination from medium-resolution density maps

artículo científico publicado en 2012

Efficacy and safety of gemcitabine, oxaliplatin, and paclitaxel in cisplatin-refractory germ cell cancer in routine care--Registry data from an outcomes research project of the German Testicular Cancer Study Group

artículo científico publicado en 2015

Energetic analysis of the rhodopsin-G-protein complex links the α5 helix to GDP release

artículo científico publicado en 2013

Ensuring scientific reproducibility in bio-macromolecular modeling via extensive, automated benchmarks

artículo científico publicado en 2021

Evaluation of TSPO PET Ligands [18F]VUIIS1009A and [18F]VUIIS1009B: Tracers for Cancer Imaging

artículo científico publicado en 2016

Expanding the utility of NMR restraints with paramagnetic compounds: background and practical aspects

artículo científico publicado en 2011

Exploration of allosteric agonism structure-activity relationships within an acetylene series of metabotropic glutamate receptor 5 (mGlu5) positive allosteric modulators (PAMs): discovery of 5-((3-fluorophenyl)ethynyl)-N-(3-methyloxetan-3-yl)picolin

artículo científico publicado en 2013

Exploring Symmetry as an Avenue to the Computational Design of Large Protein Domains

artículo científico publicado en 2011

Exposure conditions in x-ray pictures with flat angle transmission of the image-carrier layers

artículo científico publicado el 1 de diciembre de 1973

Fast determination of 13C NMR chemical shifts using artificial neural networks

artículo científico publicado en 2000

Feasibility of preemptive biomarker profiling for personalised early clinical drug development at a Comprehensive Cancer Center

artículo científico publicado en 2013

Federating Structural Models and Data: Outcomes from A Workshop on Archiving Integrative Structures

artículo científico publicado en 2019

Finding the needle in the haystack: towards solving the protein-folding problem computationally.

artículo científico publicado en 2017

Free modeling with Rosetta in CASP6

artículo científico publicado en 2005

Fully Flexible Docking of Medium Sized Ligand Libraries with RosettaLigand

artículo científico publicado en 2015

Genetic analysis of the localization of APOBEC3F to human immunodeficiency virus type 1 virion cores

artículo científico publicado en 2014

Genius: a genetic algorithm for automated structure elucidation from 13C NMR spectra

artículo científico publicado en 2002

Guanylate Cyclase-Activating Protein-2 Undergoes Structural Changes upon Binding to Detergent Micelles and Bicelles.

artículo científico publicado en 2014

Heterogeneity of the GFP fitness landscape and data-driven protein design

artículo científico publicado en 2022

High-Throughput Functional Evaluation of KCNQ1 Decrypts Variants of Unknown Significance

scientific article published on 01 November 2018

High-Throughput Screening Assay Datasets from the PubChem Database

Holistic Approach to Partial Covalent Interactions in Protein Structure Prediction and Design with Rosetta

artículo científico publicado en 2018

Human Rotavirus VP6-Specific Antibodies Mediate Intracellular Neutralization by Binding to a Quaternary Structure in the Transcriptional Pore

artículo científico publicado en 2013

Human VH1-69 Gene-Encoded Human Monoclonal Antibodies against Staphylococcus aureus IsdB Use at Least Three Distinct Modes of Binding To Inhibit Bacterial Growth and Pathogenesis

artículo científico publicado en 2019

Human antibodies that neutralize respiratory droplet transmissible H5N1 influenza viruses

artículo científico publicado en 2013

Human antibodies that neutralize respiratory droplet transmissible H5N1influenza viruses.

artículo científico publicado en 2013

Human germline antibody gene segments encode polyspecific antibodies

artículo científico publicado en 2013

Human-likeness of antibody biologics determined by back-translation and comparison with large antibody variable gene repertoires

scientific article published on 01 January 2020

Hybrid approaches: applying computational methods in cryo-electron microscopy

artículo científico publicado en 2009

Identification and Characterization of the First Selective Y4 Receptor Positive Allosteric Modulator

artículo científico publicado en 2017

Identification of Metabotropic Glutamate Receptor Subtype 5 Potentiators Using Virtual High-Throughput Screening

artículo científico publicado en 2010

Identification of Novel Allosteric Modulators of Metabotropic Glutamate Receptor Subtype 5 Acting at Site Distinct from 2-Methyl-6-(phenylethynyl)-pyridine Binding

artículo científico publicado en 2019

Identification of a ubiquitin-binding interface using Rosetta and DEER.

artículo científico publicado en 2018

Identification of determinants required for agonistic and inverse agonistic ligand properties at the ADP receptor P2Y12.

artículo científico publicado en 2012

Identification of specific ligand-receptor interactions that govern binding and cooperativity of diverse modulators to a common metabotropic glutamate receptor 5 allosteric site

scientific article published on 26 February 2014

IgG4-related disease: Association with a rare gene variant expressed in cytotoxic T cells.

artículo científico publicado en 2019

Immune repertoire fingerprinting by principal component analysis reveals shared features in subject groups with common exposures

scientific article published on 04 December 2019

Improved in Vitro Folding of the Y2 G Protein-Coupled Receptor into Bicelles

artículo científico publicado en 2017

Improved prediction of trans-membrane spans in proteins using an Artificial Neural Network

artículo científico publicado en 2009

Improving Loop Modeling of the Antibody Complementarity-Determining Region 3 Using Knowledge-Based Restraints

artículo científico publicado en 2016

Improving homology modeling from low-sequence identity templates in Rosetta: A case study in GPCRs

artículo científico publicado en 2020

Improving prediction of helix-helix packing in membrane proteins using predicted contact numbers as restraints

artículo científico publicado en 2017

Improving quantitative structure-activity relationship models using Artificial Neural Networks trained with dropout

artículo científico publicado en 2016

In silico analysis and experimental verification of OSR1 kinase - Peptide interaction

artículo científico publicado en 2014

Individual dose and scheduling determine the efficacy of combining cytotoxic anticancer agents with a kinase inhibitor in non-small-cell lung cancer

artículo científico publicado en 2012

Insight on mutation-induced resistance to anaplastic lymphoma kinase inhibitor ceritinib from molecular dynamics simulations

scientific article published on 21 January 2019

Integrated Structural Biology for α-Helical Membrane Protein Structure Determination

scholarly article by Yan Xia published in April 2018

Integrated Structural Modeling of Full-Length LRH-1 Reveals Inter-domain Interactions Contribute to Receptor Structure and Function

artículo científico publicado en 2020

Integrating linear optimization with structural modeling to increase HIV neutralization breadth.

artículo científico publicado en 2018

Integrating solid-state NMR and computational modeling to investigate the structure and dynamics of membrane-associated ghrelin

artículo científico publicado en 2015

Integrative Protein Modeling in RosettaNMR from Sparse Paramagnetic Restraints

scientific article published on 12 September 2019

Interaction of a G protein with an activated receptor opens the interdomain interface in the alpha subunit

artículo científico publicado en 2011

Interfaces Between Alpha-helical Integral Membrane Proteins: Characterization, Prediction, and Docking

artículo científico publicado en 2019

Inverted topologies in membrane proteins: a mini-review

artículo científico publicado en 2013

Iterative Molecular Dynamics-Rosetta Protein Structure Refinement Protocol to Improve Model Quality.

artículo científico publicado en 2013

Iterative experimental and virtual high-throughput screening identifies metabotropic glutamate receptor subtype 4 positive allosteric modulators

artículo científico publicado en 2012

Ligand-based virtual screen for the discovery of novel M5 inhibitor chemotypes

artículo científico publicado en 2016

Ligand-mimicking receptor variant discloses binding and activation mode of prolactin-releasing peptide

artículo científico publicado en 2012

Limitations of detail recognition in radiographs due to threshold contrast values (author's transl) ⬇️

artículo científico publicado el 1 de agosto de 1977

Long antibody HCDR3s from HIV-naïve donors presented on a PG9 neutralizing antibody background mediate HIV neutralization

artículo científico publicado en 2016

MHC-II alleles shape the CDR3 repertoires of conventional and regulatory naïve CD4+ T cells

artículo científico publicado en 2020

ML418: The First Selective, Sub-Micromolar Pore Blocker of Kir7.1 Potassium Channels

artículo científico publicado en 2016

Macromolecular modeling and design in Rosetta: recent methods and frameworks

artículo científico publicado en 2020

Measurement of aptamer-protein interactions with back-scattering interferometry

artículo científico publicado en 2011

Mechanisms of KCNQ1 channel dysfunction in long QT syndrome involving voltage sensor domain mutations.

artículo científico publicado en 2018

Membrane protein contact and structure prediction using co-evolution in conjunction with machine learning

artículo científico publicado en 2017

Membrane protein structure determination using paramagnetic tags

artículo científico publicado en 2011

Model-Free Analysis of Protein Backbone Motion from Residual Dipolar Couplings

article

Model-Free Approach to the Dynamic Interpretation of Residual Dipolar Couplings in Globular Proteins

artículo científico publicado en 2001

Modeling the complete chemokine-receptor interaction

artículo científico publicado en 2018

Modulation transfer function of the radiograph (author's transl) ⬇️

artículo científico publicado el 1 de diciembre de 1976

Modulation transmission function and detail recognition in tomograms (author's transl) ⬇️

artículo científico publicado el 1 de diciembre de 1977

Molecular architecture of the human caveolin-1 complex

artículo científico publicado en 2022

Mono(2-ethylhexyl) phthalate (MEHP) and mono(2-ethyl-5-oxohexyl) phthalate (MEOHP) but not di(2-ethylhexyl) phthalate (DEHP) bind productively to the peroxisome proliferator-activated receptor γ

artículo científico publicado en 2019

Multi-state design of flexible proteins predicts sequences optimal for conformational change

artículo científico publicado en 2020

Multistate design of influenza antibodies improves affinity and breadth against seasonal viruses

article published in the Proceedings of the National Academy of Sciences of the United States of America

Negative regulation of CD4 expression in T cells by the transcriptional repressor ZEB.

artículo científico publicado en 1999

New algorithms and an in silico benchmark for computational enzyme design

artículo científico publicado en 2006

Novel methods of automated structure elucidation based on 13C NMR spectroscopy

artículo científico publicado en 2004

Octarellin VI: using rosetta to design a putative artificial (β/α)8 protein

artículo científico publicado en 2013

On-target Resistance to the Mutant-Selective EGFR Inhibitor Osimertinib Can Develop in an Allele-Specific Manner Dependent on the Original EGFR-Activating Mutation

scientific article published on 22 February 2019

Opportunities and challenges in the discovery of allosteric modulators of GPCRs for treating CNS disorders

artículo científico publicado en 2014

Origin and prediction of free-solution interaction studies performed label-free.

artículo científico publicado en 2016

Outcome of the First wwPDB Hybrid/Integrative Methods Task Force Workshop

artículo científico publicado en 2015

PIK3CA C2 Domain Deletions Hyperactivate Phosphoinositide 3-kinase (PI3K), Generate Oncogene Dependence, and Are Exquisitely Sensitive to PI3Kα Inhibitors

artículo científico publicado en 2017

PROSHIFT: Protein chemical shift prediction using artificial neural networks

artículo científico publicado en 2003

Pancreatic polypeptide is recognized by two hydrophobic domains of the human Y4 receptor binding pocket.

artículo científico publicado en 2013

Personalized biochemistry and biophysics

artículo científico publicado en 2015

Perspective on computational and structural aspects of kinase discovery from IPK2014

artículo científico publicado en 2015

Pharmacological evaluation of new constituents of "Spice": synthetic cannabinoids based on indole, indazole, benzimidazole and carbazole scaffolds.

artículo científico publicado en 2018

Phenotypic Profiling in Subjects Heterozygous for 1 of 2 Rare Variants in the Hypophosphatasia Gene (ALPL)

scientific article published on 28 June 2020

Pore Polarity and Charge Determine Differential Block of Kir1.1 and Kir7.1 Potassium Channels by Small-Molecule Inhibitor VU590.

artículo científico publicado en 2017

Position and length of fatty acids strongly affect receptor selectivity pattern of human pancreatic polypeptide analogues

artículo científico publicado en 2014

Potential of fragment recombination for rational design of proteins

artículo científico publicado en 2012

Potently neutralizing and protective human antibodies against SARS-CoV-2

artículo científico publicado en 2020

Practically useful: what the Rosetta protein modeling suite can do for you

artículo científico publicado en 2010

Pre-filtration of an x-ray source and the radiation exposure of patients

artículo científico publicado en 1989

Predicting the Functional Impact of KCNQ1 Variants of Unknown Significance.

artículo científico publicado en 2017

Predicting the functional impact of KCNQ1 variants with artificial neural networks

artículo científico publicado en 2022

Prediction of HIV-1 protease/inhibitor affinity using RosettaLigand

artículo científico publicado en 2012

Prediction of amphipathic helix-membrane interactions with Rosetta

artículo científico publicado en 2021

Probing biophysical sequence constraints within the transmembrane domains of rhodopsin by deep mutational scanning

scientific article published on 04 March 2020

Probing the metabotropic glutamate receptor 5 (mGlu₅) positive allosteric modulator (PAM) binding pocket: discovery of point mutations that engender a "molecular switch" in PAM pharmacology

artículo científico publicado en 2013

Projection Angle Restraints for Studying Structure and Dynamics of Biomolecules

artículo científico publicado en 2004

Prostaglandin E2 glyceryl ester is an endogenous agonist of the nucleotide receptor P2Y6

artículo científico publicado en 2017

Protein contact prediction from amino acid co-evolution using convolutional networks for graph-valued images ⬇️

artículo científico publicado en 2016

Protein structure aids predicting functional perturbation of missense variants in and

Protein structure prediction guided by crosslinking restraints--A systematic evaluation of the impact of the crosslinking spacer length ⬇️

artículo científico publicado en 2015

Protein structure prediction using sparse NOE and RDC restraints with Rosetta in CASP13

scientific article published on 18 July 2019

Protein-Ligand Docking with Protein-based and Ligand-based Structure Activity Relationships

Protocols for Molecular Modeling with Rosetta3 and RosettaScripts

scientific article published on 04 August 2016

Protonation-dependent conformational dynamics of the multidrug transporter EmrE.

artículo científico publicado en 2016

Pushing the size limit of de novo structure ensemble prediction guided by sparse SDSL-EPR restraints to 200 residues: The monomeric and homodimeric forms of BAX

artículo científico publicado en 2016

PyIR: a scalable wrapper for processing billions of immunoglobulin and T cell receptor sequences using IgBLAST

artículo científico publicado en 2020

Pyruvate formate-lyase interacts directly with the formate channel FocA to regulate formate translocation

artículo científico publicado en 2014

Quantitative Structure-Activity Relationship Modeling of Kinase Selectivity Profiles.

artículo científico publicado en 2017

ROSETTA3: an object-oriented software suite for the simulation and design of macromolecules

artículo científico publicado en 2011

ROSETTALIGAND: protein-small molecule docking with full side-chain flexibility

artículo científico publicado en 2006

Radiation burden of the patient in roentgen exposures

artículo científico publicado en 1987

Rapid Simulation of Unprocessed DEER Decay Data for Protein Fold Prediction

artículo científico publicado en 2019

Rapid protein fold determination using unassigned NMR data

artículo científico publicado en 2003

Rearrangement of the Extracellular Domain/Extracellular Loop 1 Interface Is Critical for Thyrotropin Receptor Activation

artículo científico publicado en 2016

Recognition dynamics up to microseconds revealed from an RDC-derived ubiquitin ensemble in solution

artículo científico publicado en 2008

Reconstruction of SAXS Profiles from Protein Structures

artículo científico publicado en 2013

Redesigned HIV antibodies exhibit enhanced neutralizing potency and breadth

artículo científico publicado en 2015

Residual dipolar couplings as a tool to study molecular recognition of ubiquitin.

artículo científico publicado en 2008

Role of Non-local Interactions between CDR Loops in Binding Affinity of MR78 Antibody to Marburg Virus Glycoprotein.

artículo científico publicado en 2017

Role of antibody heavy and light chain interface residues in affinity maturation of binding to HIV envelope glycoprotein

article

Rosetta Ligand Docking with Flexible XML Protocols ⬇️

artículo científico publicado el 1 de enero de 2012

Rosetta and the Design of Ligand Binding Sites.

artículo científico publicado en 2016

Rosetta design with co-evolutionary information retains protein function

artículo científico publicado en 2021

Rosetta predictions in CASP5: successes, failures, and prospects for complete automation.

artículo científico publicado en 2003

RosettaEPR: an integrated tool for protein structure determination from sparse EPR data

artículo científico publicado en 2010

RosettaEPR: rotamer library for spin label structure and dynamics

artículo científico publicado en 2013

RosettaLigandEnsemble: A Small-Molecule Ensemble-Driven Docking Approach.

artículo científico publicado en 2018

RosettaScripts: a scripting language interface to the Rosetta macromolecular modeling suite

artículo científico publicado en 2011

Second-site suppressors of HIV-1 capsid mutations: restoration of intracellular activities without correction of intrinsic capsid stability defects

artículo científico publicado en 2012

Selective mode of action of guanidine-containing non-peptides at human NPFF receptors

artículo científico publicado en 2012

Self-consistent residual dipolar coupling based model-free analysis for the robust determination of nanosecond to microsecond protein dynamics.

artículo científico publicado en 2008

Side-Chain Orientation and Hydrogen-Bonding Imprint Supra-τc Motion on the Protein Backbone of Ubiquitin

artículo científico publicado en 2005

Simultaneous prediction of binding free energy and specificity for PDZ domain-peptide interactions

artículo científico publicado en 2013

Simultaneous prediction of protein secondary structure and transmembrane spans

artículo científico publicado en 2013

Small-molecule ligand docking into comparative models with Rosetta

artículo científico

Solvent accessible surface area approximations for rapid and accurate protein structure prediction.

artículo científico publicado en 2009

Specificity and affinity of the N-terminal residues in staphylocoagulase in binding to prothrombin

scientific article published on 10 March 2020

Strand-loop-strand motifs: prediction of hairpins and diverging turns in proteins

artículo científico publicado en 2004

Structural Basis of the Activity of the Microtubule-Stabilizing Agent Epothilone A Studied by NMR Spectroscopy in Solution

artículo científico publicado en 2007

Structural Model of Ghrelin Bound to its G Protein-Coupled Receptor

artículo científico publicado en 2019

Structural basis for KCNE3 modulation of potassium recycling in epithelia

artículo científico publicado en 2016

Structural basis for nonneutralizing antibody competition at antigenic site II of the respiratory syncytial virus fusion protein

artículo científico publicado en 2016

Structural basis of ligand binding modes at the neuropeptide Y Y1 receptor

artículo científico publicado en 2018

Structural determinants of species-selective substrate recognition in human and Drosophila serotonin transporters revealed through computational docking studies

artículo científico publicado en 2009

Structural models for the KCNQ1 voltage-gated potassium channel

artículo científico publicado en 2007

Structural, functional, and behavioral insights of dopamine dysfunction revealed by a deletion in SLC6A3

scientific article published on 12 February 2019

Structure and Dynamics of Type III Secretion Effector Protein ExoU As determined by SDSL-EPR Spectroscopy in Conjunction with De Novo Protein Folding

artículo científico publicado en 2017

Structure and Function of the Transmembrane Domain of NsaS, an Antibiotic Sensing Histidine Kinase in Staphylococcus aureus.

artículo científico publicado en 2018

Structure and mechanism of the phage T4 recombination mediator protein UvsY.

artículo científico publicado en 2016

Structure and physiological function of the human KCNQ1 channel voltage sensor intermediate state

artículo científico publicado en 2020

Structure of KCNE1 and Implications for How It Modulates the KCNQ1 Potassium Channel † ‡

artículo científico publicado en 2008

Structure of a class C GPCR metabotropic glutamate receptor 1 bound to an allosteric modulator

artículo científico publicado en 2014

Structures Illuminate Cardiac Ion Channel Functions in Health and in Long QT Syndrome

artículo científico publicado en 2020

The High-Resolution Solution Structure of Epothilone A Bound to Tubulin: An Understanding of the Structure–Activity Relationships for a Powerful Class of Antitumor Agents

scholarly article by Teresa Carlomagno et al published 6 June 2003 in Angewandte Chemie International Edition

The INPHARMA Method: Protein-Mediated Interligand NOEs for Pharmacophore Mapping

artículo científico publicado en 2005

The Impact of Natural Selection on the Evolution and Function of Placentally Expressed Galectins

artículo científico publicado en 2019

The Kir channel immunoglobulin domain is essential for Kir1.1 (ROMK) thermodynamic stability, trafficking and gating

scientific journal article

The Marburgvirus-Neutralizing Human Monoclonal Antibody MR191 Targets a Conserved Site to Block Virus Receptor Binding

artículo científico publicado en 2018

The Predictive Power of Different Types of Experimental Restraints in Small Molecule Docking: A Review

artículo científico publicado en 2017

The STAT5b Linker Domain Mediates the Selectivity of Catechol Bisphosphates for STAT5b over STAT5a

scientific article published on 18 March 2019

The Tubulin-Bound Conformation of Discodermolide Derived by NMR Studies in Solution Supports a Common Pharmacophore Model for Epothilone and Discodermolide

article

The activity of prolactin releasing peptide correlates with its helicity

artículo científico publicado en 2013

The effect of increased performance of modern x-ray tubes on improvements in picture quality, particularly of moving organs (author's transl) ⬇️

artículo científico publicado el 1 de julio de 1976

The evolutionarily conserved residue A653 plays a key role in HERG channel closing.

artículo científico publicado en 2009

The fumarate sensor DcuS: progress in rapid protein fold elucidation by combining protein structure prediction methods with NMR spectroscopy.

artículo científico publicado en 2005

The homology model of PMP22 suggests mutations resulting in peripheral neuropathy disrupt transmembrane helix packing

artículo científico publicado en 2014

The impact of natural selection on the evolution and function of placentally expressed galectins: Supplementary Tables, Figures and Files

scholarly article published 23 December 2018

The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors

artículo científico publicado en 2018

The unexpected structure of the designed protein Octarellin V.1 forms a challenge for protein structure prediction tools

artículo científico publicado en 2016

Therapeutic targeting of apoptotic pathways in cancer

artículo científico publicado en 2006

Three-dimensional spatial analysis of missense variants in RTEL1 identifies pathogenic variants in patients with Familial Interstitial Pneumonia.

artículo científico publicado en 2018

Time-resolved live-cell spectroscopy reveals EphA2 multimeric assembly

artículo científico publicado en 2023

Tip60 is a cell-type-specific transcriptional regulator

artículo científico publicado en 2001

Towards Ligand Docking Including Explicit Interface Water Molecules ⬇️

artículo científico publicado el 28 de junio de 2013

Towards the treatment of Alzheimer's disease: Discovery and development of novel subtype-specific M1 allosteric agonists

article

Transversal blurring in tomography (author's transl)

artículo científico publicado el 1 de mayo de 1979

Tunneling dynamics of doped organic low-temperature glasses as probed by a photophysical hole-burning system

article

Unique gating properties of C. elegans ClC anion channel splice variants are determined by altered CBS domain conformation and the R-helix linker

artículo científico publicado en 2010

Unwinding of the C-Terminal Residues of Neuropeptide Y is critical for Y₂ Receptor Binding and Activation

artículo científico publicado en 2015

Upgraded molecular models of the human KCNQ1 potassium channel

artículo científico publicado en 2019

Using RosettaLigand for small molecule docking into comparative models

artículo científico publicado en 2012

Using neural networks for (13)c NMR chemical shift prediction-comparison with traditional methods

artículo científico publicado en 2002

Using the natural evolution of a rotavirus-specific human monoclonal antibody to predict the complex topography of a viral antigenic site

artículo científico publicado en 2007

Validation of Structural Proposals by Substructure Analysis and13C NMR Chemical Shift Prediction

artículo científico publicado en 2002

Web-accessible molecular modeling with Rosetta: The Rosetta Online Server that Includes Everyone (ROSIE).

artículo científico publicado en 2017

Y95 and E444 interaction required for high-affinity S-citalopram binding in the human serotonin transporter

artículo científico

[Analysis of various factors of blurring with reference to total blurring in the roentgenogram.]

artículo científico publicado en 1955

[Anode filtration and its contribution to the total inherent filtration of an x-ray tube]

artículo científico publicado en 1987

[Automatic dose-rate control during linear tomography (author's transl)]

artículo científico publicado en 1977

[Does an after-glow of luminescent material grant a smaller energy expenditure in a roentgenogram.]

artículo científico publicado en 1959

[Effective prefilter and patient dosage]

artículo científico publicado en 1986

[Effects of the focus volume and the amplifying foil on the quality of roentgenographs]

scientific article published on 01 August 1955

[Focus insufficiency of intensifying screens]

artículo científico publicado en 1954

[Irreality of the tangential effect (author's transl)]

artículo científico publicado en 1981

[MODIFICATIONS IN THE ROENTGENOLOGICAL APPARATUS AND TUBE VOLTAGE CURVES AND THEIR EFFECTS ON THE EXPOSURE TECHNIC.]

artículo científico publicado en 1964

[Pre-filtration of an x-ray radiation source in 2-pulse operation]

artículo científico publicado en 1987

[Roentgen radiation dosage using the 2-pulse technic]

artículo científico publicado en 1988

[Triphase current generator and roentgen uptake technic]

artículo científico publicado en 1966

[What effect do intensifying screens and general lack of resolution have on tomography?]

artículo científico publicado en 1973

bcl::Cluster : A method for clustering biological molecules coupled with visualization in the Pymol Molecular Graphics System

artículo científico publicado en 2011

α2A- and α2C-Adrenoceptors as Potential Targets for Dopamine and Dopamine Receptor Ligands

artículo científico publicado en 2018

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