Lista de obras - Carsten Baldauf - Dominio Público Uruguay

A beta/gamma motif to mimic alpha-helical turns in proteins

artículo científico publicado en 2010

A new approach for flexible protein-ligand docking based on Particle Swarm Optimisation.

artículo científico publicado en 2008

A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13

artículo científico publicado en 2011

A systematic study of fundamentals in α-helical coiled coil mimicry by alternating sequences of β- and γ-amino acids.

artículo científico publicado en 2011

About Underappreciated Yet Active Conformations of Thiourea Organocatalysts.

artículo científico publicado en 2017

Amide-to-ester substitution in coiled coils: the effect of removing hydrogen bonds on protein structure.

artículo científico publicado en 2007

An unusual interstrand H-bond stabilizes the heteroassembly of helical αβγ-chimeras with natural peptides

artículo científico publicado en 2014

Assessing the Accuracy of Across-the-Scale Methods for Predicting Carbohydrate Conformational Energies for the Examples of Glucose and α-Maltose.

artículo científico publicado en 2016

Assessing the stability of alanine-based helices by conformer-selective IR spectroscopy

artículo científico publicado en 2016

Autoregulation of von Willebrand factor function by a disulfide bond switch.

artículo científico publicado en 2018

Balancing selectivity vs stability using molecular dynamics and umbrella sampling

artículo científico publicado en 2014

Benchmarking polarizable and non-polarizable force fields for Ca2+-peptides against a comprehensive QM dataset

scientific article published on 01 October 2020

Coiled-coils in phage display screening: insight into exceptional selectivity provided by molecular dynamics.

artículo científico publicado en 2015

Conformations of Prolyl-Peptide Bonds in the Bradykinin 1-5 Fragment in Solution and in the Gas Phase

artículo científico publicado en 2016

Control of helix formation in vinylogous gamma-peptides by (E)- and (Z)-double bonds: a way to ion channels and monomolecular nanotubes

artículo científico publicado en 2005

Correction to About Underappreciated Yet Active Conformations of Thiourea Organocatalysts

artículo científico publicado en 2017

Delta-peptides and delta-amino acids as tools for peptide structure design--a theoretical study

artículo científico publicado en 2004

Exploring the conformational preferences of 20-residue peptides in isolation: Ac-Ala19-Lys + H(+)vs. Ac-Lys-Ala19 + H(+) and the current reach of DFT.

artículo científico publicado en 2015

FAIR Practices in Europe

First-Principles Molecular Structure Search with a Genetic Algorithm ⬇️

artículo científico publicado en 2015

First-principles data set of 45,892 isolated and cation-coordinated conformers of 20 proteinogenic amino acids

artículo científico publicado en 2016

Force-sensitive autoinhibition of the von Willebrand factor is mediated by interdomain interactions

artículo científico publicado en 2015

Going clean: structure and dynamics of peptides in the gas phase and paths to solvation

artículo científico publicado en 2015

Helices in peptoids of alpha- and beta-peptides.

artículo científico publicado en 2006

Helix formation in alpha,gamma- and beta,gamma-hybrid peptides: theoretical insights into mimicry of alpha- and beta-peptides

scientific article published on 01 February 2006

How cations change peptide structure.

artículo científico publicado en 2013

How mono-valent cations bend peptide turns and a first-principles database of amino acids and dipeptides

Identification of the Key Residue of Calcitonin Gene Related Peptide (CGRP) 27−37 to Obtain Antagonists with Picomolar Affinity at the CGRP Receptor

article

Kinetically Trapped Liquid-State Conformers of a Sodiated Model Peptide Observed in the Gas Phase

artículo científico publicado en 2017

Mapping and classifying molecules from a high-throughput structural database.

scientific article published on 02 February 2017

Mixed helices--a general folding pattern in homologous peptides?

artículo científico publicado en 2004

Mutation G1629E Increases von Willebrand Factor Cleavage via a Cooperative Destabilization Mechanism.

artículo científico publicado en 2017

Mutual A domain interactions in the force sensing protein von Willebrand factor.

artículo científico publicado en 2016

NFDI4Chem - Towards a National Research Data Infrastructure for Chemistry in Germany

artículo científico publicado en 2020

Native like helices in a specially designed β peptide in the gas phase

artículo científico publicado en 2015

On the Cis to Trans Isomerization of Prolyl–Peptide Bonds under Tension

artículo científico publicado en 2012

ParaDockS: a framework for molecular docking with population-based metaheuristics

artículo científico publicado en 2010

Photodissociation of conformer-selected ubiquitin ions reveals site-specific cis/trans isomerization of proline peptide bonds

artículo científico publicado en 2014

Probing chirality recognition of protonated glutamic acid dimers by gas-phase vibrational spectroscopy and first-principles simulations

artículo científico publicado en 2018

Shear-induced unfolding activates von Willebrand factor A2 domain for proteolysis

artículo científico publicado en 2009

Side-chain control of folding of the homologous alpha-, beta-, and gamma-peptides into "mixed" helices (beta-helices)

scientific article published on 01 January 2005

Single molecule force spectroscopy data and BD- and MD simulations on the blood protein von Willebrand factor

artículo científico publicado en 2016

Stable hairpins with beta-peptides: route to tackle protein-protein interactions

artículo científico publicado en 2008

Structure and Reactivity of Al-O(H)-Al Moieties in Siloxide Frameworks - Solution and Gas phase Model Studies

scientific article published on 17 December 2018

Synthesis and structure of alpha/delta-hybrid peptides--access to novel helix patterns in foldamers.

artículo científico publicado en 2009

The SQM/COSMO filter: reliable native pose identification based on the quantum-mechanical description of protein-ligand interactions and implicit COSMO solvation

artículo científico publicado en 2016

The Structure of the Protonated Serine Octamer

artículo científico publicado en 2018

Theoretical prediction of the basic helix types in alpha,beta-hybrid peptides

scientific article published on 01 January 2006

von Willebrand disease type 2A phenotypes IIC, IID and IIE: A day in the life of shear-stressed mutant von Willebrand factor

scientific article published on 06 March 2014

von Willebrand factor directly interacts with DNA from neutrophil extracellular traps.

artículo científico publicado en 2014

von Willebrand factor is dimerized by protein disulfide isomerase

artículo científico publicado en 2015

β- and γ-Amino Acids at α-Helical Interfaces: Toward the Formation of Highly Stable Foldameric Coiled Coils

artículo científico publicado en 2014

Lista de obras de Carsten Baldauf

A beta/gamma motif to mimic alpha-helical turns in proteins

A new approach for flexible protein-ligand docking based on Particle Swarm Optimisation.

A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13

A systematic study of fundamentals in α-helical coiled coil mimicry by alternating sequences of β- and γ-amino acids.

About Underappreciated Yet Active Conformations of Thiourea Organocatalysts.

Amide-to-ester substitution in coiled coils: the effect of removing hydrogen bonds on protein structure.

An unusual interstrand H-bond stabilizes the heteroassembly of helical αβγ-chimeras with natural peptides

Assessing the Accuracy of Across-the-Scale Methods for Predicting Carbohydrate Conformational Energies for the Examples of Glucose and α-Maltose.

Assessing the stability of alanine-based helices by conformer-selective IR spectroscopy

Autoregulation of von Willebrand factor function by a disulfide bond switch.

Balancing selectivity vs stability using molecular dynamics and umbrella sampling

Benchmarking polarizable and non-polarizable force fields for Ca2+-peptides against a comprehensive QM dataset

Coiled-coils in phage display screening: insight into exceptional selectivity provided by molecular dynamics.

Conformations of Prolyl-Peptide Bonds in the Bradykinin 1-5 Fragment in Solution and in the Gas Phase

Control of helix formation in vinylogous gamma-peptides by (E)- and (Z)-double bonds: a way to ion channels and monomolecular nanotubes

Correction to About Underappreciated Yet Active Conformations of Thiourea Organocatalysts

Delta-peptides and delta-amino acids as tools for peptide structure design--a theoretical study

Exploring the conformational preferences of 20-residue peptides in isolation: Ac-Ala19-Lys + H(+)vs. Ac-Lys-Ala19 + H(+) and the current reach of DFT.

FAIR Practices in Europe

First-Principles Molecular Structure Search with a Genetic Algorithm ⬇️

First-principles data set of 45,892 isolated and cation-coordinated conformers of 20 proteinogenic amino acids

Force-sensitive autoinhibition of the von Willebrand factor is mediated by interdomain interactions

Going clean: structure and dynamics of peptides in the gas phase and paths to solvation

Helices in peptoids of alpha- and beta-peptides.

Helix formation in alpha,gamma- and beta,gamma-hybrid peptides: theoretical insights into mimicry of alpha- and beta-peptides

How cations change peptide structure.

How mono-valent cations bend peptide turns and a first-principles database of amino acids and dipeptides

Identification of the Key Residue of Calcitonin Gene Related Peptide (CGRP) 27−37 to Obtain Antagonists with Picomolar Affinity at the CGRP Receptor

Kinetically Trapped Liquid-State Conformers of a Sodiated Model Peptide Observed in the Gas Phase

Mapping and classifying molecules from a high-throughput structural database.

Mixed helices--a general folding pattern in homologous peptides?

Mutation G1629E Increases von Willebrand Factor Cleavage via a Cooperative Destabilization Mechanism.

Mutual A domain interactions in the force sensing protein von Willebrand factor.

NFDI4Chem - Towards a National Research Data Infrastructure for Chemistry in Germany

Native like helices in a specially designed β peptide in the gas phase

On the Cis to Trans Isomerization of Prolyl–Peptide Bonds under Tension

ParaDockS: a framework for molecular docking with population-based metaheuristics

Photodissociation of conformer-selected ubiquitin ions reveals site-specific cis/trans isomerization of proline peptide bonds

Probing chirality recognition of protonated glutamic acid dimers by gas-phase vibrational spectroscopy and first-principles simulations

Shear-induced unfolding activates von Willebrand factor A2 domain for proteolysis

Side-chain control of folding of the homologous alpha-, beta-, and gamma-peptides into "mixed" helices (beta-helices)

Single molecule force spectroscopy data and BD- and MD simulations on the blood protein von Willebrand factor

Stable hairpins with beta-peptides: route to tackle protein-protein interactions

Structure and Reactivity of Al-O(H)-Al Moieties in Siloxide Frameworks - Solution and Gas phase Model Studies

Synthesis and structure of alpha/delta-hybrid peptides--access to novel helix patterns in foldamers.

The SQM/COSMO filter: reliable native pose identification based on the quantum-mechanical description of protein-ligand interactions and implicit COSMO solvation

The Structure of the Protonated Serine Octamer

Theoretical prediction of the basic helix types in alpha,beta-hybrid peptides

von Willebrand disease type 2A phenotypes IIC, IID and IIE: A day in the life of shear-stressed mutant von Willebrand factor

von Willebrand factor directly interacts with DNA from neutrophil extracellular traps.

von Willebrand factor is dimerized by protein disulfide isomerase

β- and γ-Amino Acids at α-Helical Interfaces: Toward the Formation of Highly Stable Foldameric Coiled Coils