Lista de obras - Peter Kolb - Dominio Público Uruguay

A Focus on Unusual ECL2 Interactions Yields β2 -Adrenergic Receptor Antagonists with Unprecedented Scaffolds

artículo científico publicado en 2020

A Taxicab geometry quantification system to evaluate the performance of in silico methods: a case study on adenosine receptors ligands

artículo científico publicado en 2020

A double-headed cathepsin B inhibitor devoid of warhead

artículo científico publicado en 2008

An open source pharma roadmap

artículo científico publicado en 2017

Automated docking of highly flexible ligands by genetic algorithms: a critical assessment.

artículo científico publicado en 2004

Automatic and efficient decomposition of two-dimensional structures of small molecules for fragment-based high-throughput docking

artículo científico publicado en 2006

Binding-Site Compatible Fragment Growing Applied to the Design of β2-Adrenergic Receptor Ligands

artículo científico publicado en 2018

Community guidelines for GPCR ligand bias: IUPHAR review 32

Comparative Docking to Distinct G Protein-Coupled Receptor Conformations Exclusively Yields Ligands with Agonist Efficacy

artículo científico publicado en 2019

Computergestützte Entwicklung selektiver Liganden G-Protein-gekoppelter Rezeptoren

artículo científico publicado en 2013

Cryo-EM structure of cell-free synthesized human histamine 2 receptor/Gs complex in nanodisc environment

artículo científico publicado en 2024

Crystal structure of the human OX2 orexin receptor bound to the insomnia drug suvorexant

artículo científico publicado en 2015

Direct targeting of Gαq and Gα11 oncoproteins in cancer cells

artículo científico publicado en 2019

Discovery of cell-permeable non-peptide inhibitors of beta-secretase by high-throughput docking and continuum electrostatics calculations

artículo científico publicado en 2005

Discovery of kinase inhibitors by high-throughput docking and scoring based on a transferable linear interaction energy model

artículo científico publicado en 2008

Docking and chemoinformatic screens for new ligands and targets

artículo científico publicado en 2009

Docking screens: right for the right reasons?

artículo científico publicado en 2009

Drugging specific conformational states of GPCRs: challenges and opportunities for computational chemistry

artículo científico publicado en 2016

Fragment-based similarity searching with infinite color space

artículo científico publicado en 2015

Functional Annotation and Three-Dimensional Structure of Dr0930 from Deinococcus radiodurans , a Close Relative of Phosphotriesterase in the Amidohydrolase Superfamily † ‡

artículo científico publicado en 2009

Functional annotation and structural characterization of a novel lactonase hydrolyzing D-xylono-1,4-lactone-5-phosphate and L-arabino-1,4-lactone-5-phosphate

artículo científico publicado en 2014

GPCRdb: the G protein-coupled receptor database - an introduction

artículo científico publicado en 2016

GPCRmd uncovers the dynamics of the 3D-GPCRome

scientific article published on 13 July 2020

Identification and in silico structural analysis of Gallus gallus protein arginine methyltransferase 4 (PRMT4).

artículo científico publicado en 2017

Identifying modulators of CXC receptors 3 and 4 with tailored selectivity using multi-target docking

artículo científico publicado en 2014

In silico discovery of beta-secretase inhibitors

artículo científico publicado en 2006

Interrogating dense ligand chemical space with a forward-synthetic library

artículo científico publicado en 2019

Limits of ligand selectivity from docking to models: in silico screening for A(1) adenosine receptor antagonists

artículo científico publicado en 2012

Nanobody-Enabled Reverse Pharmacology on G-Protein-Coupled Receptors

scholarly article by Els Pardon et al published 30 March 2018 in Angewandte Chemie

Nanobody-Enabled Reverse Pharmacology on G-Protein-Coupled Receptors.

artículo científico publicado en 2018

PrenDB, a Substrate Prediction Database to Enable Biocatalytic Use of Prenyltransferases

artículo científico publicado en 2016

Publisher Correction: GPCRmd uncovers the dynamics of the 3D-GPCRome

scientific article published on 23 July 2020

SCUBIDOO: A Large yet Screenable and Easily Searchable Database of Computationally Created Chemical Compounds Optimized toward High Likelihood of Synthetic Tractability

artículo científico publicado en 2015

Similarity- and Substructure-Based Development of β2-Adrenergic Receptor Ligands Based on Unusual Scaffolds

artículo científico publicado en 2017

Structural and Functional Characterization of a Phosphatase Domain within Yeast General Transcription Factor IIIC

artículo científico publicado en 2013

Structure of active coagulation factor XIII triggered by calcium binding: basis for the design of next-generation anticoagulants

artículo científico publicado en 2013

Structure-Based Discovery of Novel Ligands for the Orexin 2 Receptor

scientific article published on 25 September 2020

Structure-Based Virtual Screening for Dopamine D2 Receptor Ligands as Potential Antipsychotics

artículo científico publicado en 2016

Structure-based development of a subtype-selective orexin 1 receptor antagonist

artículo científico publicado en 2020

Structure-based discovery of beta2-adrenergic receptor ligands

artículo científico publicado en 2009

Structure-based function discovery of an enzyme for the hydrolysis of phosphorylated sugar lactones

artículo científico publicado en 2012

Structure-based tailoring of compound libraries for high-throughput screening: discovery of novel EphB4 kinase inhibitors

artículo científico publicado en 2008

The Golden Age of GPCR Structural Biology: Any Impact on Drug Design?

scientific article published on 03 November 2011

The Hunt for 8-Oxoguanine Deaminase

artículo científico publicado en 2010

The allosteric site regulates the voltage sensitivity of muscarinic receptors

artículo científico publicado en 2017

The mode of agonist binding to a G protein-coupled receptor switches the effect that voltage changes have on signaling

artículo científico publicado en 2015

The pocketome of G-protein-coupled receptors reveals previously untargeted allosteric sites

artículo científico publicado en 2022

The quorum-sensing regulator ComA from Bacillus subtilis activates transcription using topologically distinct DNA motifs

artículo científico publicado en 2015

Three stories on Eph kinase inhibitors: From in silico discovery to in vivo validation

artículo científico publicado en 2016

TryptophanC5-,C6-andC7-Prenylating Enzymes Displaying a Preference for C-6 of the Indole Ring in the Presence of Unnatural Dimethylallyl Diphosphate Analogues

Virtual Compound Libraries in Computer-Assisted Drug Discovery

artículo científico publicado en 2019

Lista de obras de Peter Kolb

A Focus on Unusual ECL2 Interactions Yields β2 -Adrenergic Receptor Antagonists with Unprecedented Scaffolds

A Taxicab geometry quantification system to evaluate the performance of in silico methods: a case study on adenosine receptors ligands

A double-headed cathepsin B inhibitor devoid of warhead

An open source pharma roadmap

Automated docking of highly flexible ligands by genetic algorithms: a critical assessment.

Automatic and efficient decomposition of two-dimensional structures of small molecules for fragment-based high-throughput docking

Binding-Site Compatible Fragment Growing Applied to the Design of β2-Adrenergic Receptor Ligands

Community guidelines for GPCR ligand bias: IUPHAR review 32

Comparative Docking to Distinct G Protein-Coupled Receptor Conformations Exclusively Yields Ligands with Agonist Efficacy

Computergestützte Entwicklung selektiver Liganden G-Protein-gekoppelter Rezeptoren

Cryo-EM structure of cell-free synthesized human histamine 2 receptor/Gs complex in nanodisc environment

Crystal structure of the human OX2 orexin receptor bound to the insomnia drug suvorexant

Direct targeting of Gαq and Gα11 oncoproteins in cancer cells

Discovery of cell-permeable non-peptide inhibitors of beta-secretase by high-throughput docking and continuum electrostatics calculations

Discovery of kinase inhibitors by high-throughput docking and scoring based on a transferable linear interaction energy model

Docking and chemoinformatic screens for new ligands and targets

Docking screens: right for the right reasons?

Drugging specific conformational states of GPCRs: challenges and opportunities for computational chemistry

Fragment-based similarity searching with infinite color space

Functional Annotation and Three-Dimensional Structure of Dr0930 from Deinococcus radiodurans , a Close Relative of Phosphotriesterase in the Amidohydrolase Superfamily † ‡

Functional annotation and structural characterization of a novel lactonase hydrolyzing D-xylono-1,4-lactone-5-phosphate and L-arabino-1,4-lactone-5-phosphate

GPCRdb: the G protein-coupled receptor database - an introduction

GPCRmd uncovers the dynamics of the 3D-GPCRome

Identification and in silico structural analysis of Gallus gallus protein arginine methyltransferase 4 (PRMT4).

Identifying modulators of CXC receptors 3 and 4 with tailored selectivity using multi-target docking

In silico discovery of beta-secretase inhibitors

Interrogating dense ligand chemical space with a forward-synthetic library

Limits of ligand selectivity from docking to models: in silico screening for A(1) adenosine receptor antagonists

Nanobody-Enabled Reverse Pharmacology on G-Protein-Coupled Receptors

Nanobody-Enabled Reverse Pharmacology on G-Protein-Coupled Receptors.

PrenDB, a Substrate Prediction Database to Enable Biocatalytic Use of Prenyltransferases

Publisher Correction: GPCRmd uncovers the dynamics of the 3D-GPCRome

SCUBIDOO: A Large yet Screenable and Easily Searchable Database of Computationally Created Chemical Compounds Optimized toward High Likelihood of Synthetic Tractability

Similarity- and Substructure-Based Development of β2-Adrenergic Receptor Ligands Based on Unusual Scaffolds

Structural and Functional Characterization of a Phosphatase Domain within Yeast General Transcription Factor IIIC

Structure of active coagulation factor XIII triggered by calcium binding: basis for the design of next-generation anticoagulants

Structure-Based Discovery of Novel Ligands for the Orexin 2 Receptor

Structure-Based Virtual Screening for Dopamine D2 Receptor Ligands as Potential Antipsychotics

Structure-based development of a subtype-selective orexin 1 receptor antagonist

Structure-based discovery of beta2-adrenergic receptor ligands

Structure-based function discovery of an enzyme for the hydrolysis of phosphorylated sugar lactones

Structure-based tailoring of compound libraries for high-throughput screening: discovery of novel EphB4 kinase inhibitors

The Golden Age of GPCR Structural Biology: Any Impact on Drug Design?

The Hunt for 8-Oxoguanine Deaminase

The allosteric site regulates the voltage sensitivity of muscarinic receptors

The mode of agonist binding to a G protein-coupled receptor switches the effect that voltage changes have on signaling

The pocketome of G-protein-coupled receptors reveals previously untargeted allosteric sites

The quorum-sensing regulator ComA from Bacillus subtilis activates transcription using topologically distinct DNA motifs

Three stories on Eph kinase inhibitors: From in silico discovery to in vivo validation

TryptophanC5-,C6-andC7-Prenylating Enzymes Displaying a Preference for C-6 of the Indole Ring in the Presence of Unnatural Dimethylallyl Diphosphate Analogues

Virtual Compound Libraries in Computer-Assisted Drug Discovery