List of works - Christopher A. Reynolds

A Hydrogen-Bonded Polar Network in the Core of the Glucagon-Like Peptide-1 Receptor Is a Fulcrum for Biased Agonism: Lessons from Class B Crystal Structures

scientific article

A New Approach to Docking in the β2-Adrenergic Receptor That Exploits the Domain Structure of G-Protein-Coupled Receptors ⬇️

scientific article published on November 21, 1997

A multilayered approach to approximating solute polarization

scientific article

A prototype bioreductive DNA groove binding ligand

scientific article published in February 1991

Accurate numerical determination of Kohn-Sham potentials from electronic densities: I. Two-electron systems

article published in 1997

Addressing free fatty acid receptor 1 (FFAR1) activation using supervised molecular dynamics

scientific article published on 27 August 2020

Assessing the effect of dynamics on the closed-loop protein-folding hypothesis

scientific article

Assessing the role of polarization in docking.

scientific article

Bioinformatics and molecular modelling approaches to GPCR oligomerization.

scientific article published on 16 December 2009

Classical polarization in hybrid QM/MM methods

scientific article published in May 2006

Closed loop folding units from structural alignments: experimental foldons revisited.

scientific article

Computed redox potentials and the design of bioreductive agents ⬇️

scientific article published on July 7, 1988

Connectivity and binding-site recognition: applications relevant to drug design.

scientific article published in November 2010

Conservation of closed loops

scientific article published on 24 March 2007

Correlated mutations amongst the external residues of G-protein coupled receptors ⬇️

scientific article published on 01 August 1997

Correlated mutations and subtype specificity in the adrenergic receptor ⬇️

scientific article published on August 1, 1997

Criteria for confirming sequence periodicity identified by Fourier transform analysis: application to GCR2, a candidate plant GPCR?

scientific article

Dimerization and domain swapping in G-protein-coupled receptors: a computational study

scientific article

Dimerization of G-protein-coupled receptors

scientific article published in December 2001

Extracellular loops 2 and 3 of the calcitonin receptor selectively modify agonist binding and efficacy.

scientific article published on 15 February 2018

Genetically encoded photocross-linkers determine the biological binding site of exendin-4 peptide in the N-terminal domain of the intact human glucagon-like peptide-1 receptor (GLP-1R)

scientific article

Hypoxia-targeting copper bis(selenosemicarbazone) complexes: comparison with their sulfur analogues

scientific article published on 01 August 2003

Key interactions by conserved polar amino acids located at the transmembrane helical boundaries in Class B GPCRs modulate activation, effector specificity and biased signalling in the glucagon-like peptide-1 receptor

scientific article

Modeling GPCR active state conformations: The β2‐adrenergic receptor ⬇️

scientific article published on February 18, 2011

Partial agonism improves the anti-hyperglycaemic efficacy of an oxyntomodulin-derived GLP-1R/GCGR co-agonist

scientific article published on 30 April 2021

Potential energy surfaces from Kohn-Sham potentials

Quantitative measurement of protease ligand conformation.

scientific article

Rational drug design: binding free energy differences of carbonic anhydrase inhibitors

Receptor Activity-modifying Protein-directed G Protein Signaling Specificity for the Calcitonin Gene-related Peptide Family of Receptors

scientific article published on 14 October 2016

Simulations on dimeric peptides: evidence for domain swapping in G-protein-coupled receptors? ⬇️

scientific article published on 01 August 1997

Structure and dynamics of the active Gs-coupled human secretin receptor

scientific article published on 18 August 2020

Studies on the mechanism of hypoxic selectivity in copper bis(thiosemicarbazone) radiopharmaceuticals.

scientific article published in March 2002

The Extracellular Surface of the GLP-1 Receptor Is a Molecular Trigger for Biased Agonism

scientific article

Toward a consistent treatment of polarization in model QM/MM calculations.

scientific article

Towards new transition metal-based hypoxic selective agents for therapy and imaging

scientific article

Understanding the molecular functions of the second extracellular loop (ECL2) of the calcitonin gene-related peptide (CGRP) receptor using a comprehensive mutagenesis approach

scientific article published on 29 May 2017

List of works by Christopher A. Reynolds

A Hydrogen-Bonded Polar Network in the Core of the Glucagon-Like Peptide-1 Receptor Is a Fulcrum for Biased Agonism: Lessons from Class B Crystal Structures

A New Approach to Docking in the β2-Adrenergic Receptor That Exploits the Domain Structure of G-Protein-Coupled Receptors ⬇️

A multilayered approach to approximating solute polarization

A prototype bioreductive DNA groove binding ligand

Accurate numerical determination of Kohn-Sham potentials from electronic densities: I. Two-electron systems

Addressing free fatty acid receptor 1 (FFAR1) activation using supervised molecular dynamics

Assessing the effect of dynamics on the closed-loop protein-folding hypothesis

Assessing the role of polarization in docking.

Bioinformatics and molecular modelling approaches to GPCR oligomerization.

Classical polarization in hybrid QM/MM methods

Closed loop folding units from structural alignments: experimental foldons revisited.

Computed redox potentials and the design of bioreductive agents ⬇️

Connectivity and binding-site recognition: applications relevant to drug design.

Conservation of closed loops

Correlated mutations amongst the external residues of G-protein coupled receptors ⬇️

Correlated mutations and subtype specificity in the adrenergic receptor ⬇️

Criteria for confirming sequence periodicity identified by Fourier transform analysis: application to GCR2, a candidate plant GPCR?

Dimerization and domain swapping in G-protein-coupled receptors: a computational study

Dimerization of G-protein-coupled receptors

Extracellular loops 2 and 3 of the calcitonin receptor selectively modify agonist binding and efficacy.

Genetically encoded photocross-linkers determine the biological binding site of exendin-4 peptide in the N-terminal domain of the intact human glucagon-like peptide-1 receptor (GLP-1R)

Hypoxia-targeting copper bis(selenosemicarbazone) complexes: comparison with their sulfur analogues

Key interactions by conserved polar amino acids located at the transmembrane helical boundaries in Class B GPCRs modulate activation, effector specificity and biased signalling in the glucagon-like peptide-1 receptor

Modeling GPCR active state conformations: The β2‐adrenergic receptor ⬇️

Partial agonism improves the anti-hyperglycaemic efficacy of an oxyntomodulin-derived GLP-1R/GCGR co-agonist

Potential energy surfaces from Kohn-Sham potentials

Quantitative measurement of protease ligand conformation.

Rational drug design: binding free energy differences of carbonic anhydrase inhibitors

Receptor Activity-modifying Protein-directed G Protein Signaling Specificity for the Calcitonin Gene-related Peptide Family of Receptors

Simulations on dimeric peptides: evidence for domain swapping in G-protein-coupled receptors? ⬇️

Structure and dynamics of the active Gs-coupled human secretin receptor

Studies on the mechanism of hypoxic selectivity in copper bis(thiosemicarbazone) radiopharmaceuticals.

The Extracellular Surface of the GLP-1 Receptor Is a Molecular Trigger for Biased Agonism

Toward a consistent treatment of polarization in model QM/MM calculations.

Towards new transition metal-based hypoxic selective agents for therapy and imaging

Understanding the molecular functions of the second extracellular loop (ECL2) of the calcitonin gene-related peptide (CGRP) receptor using a comprehensive mutagenesis approach