Activation Mechanism of Corticotrophin Releasing Factor Receptor Type 1 Elucidated Using Molecular Dynamics Simulations

Binding of agonist WAY-267,464 and antagonist WAY-methylated to oxytocin receptor probed by all-atom molecular dynamics simulations

(2020) Abdullahi Ibrahim Uba et al.   LIFE SCIENCES

Ligand with Two Modes of Interaction with the Dopamine D2 Receptor–An Induced-Fit Mechanism of Insurmountable Antagonism

(2020) Richard Ågren et al.   ACS Chemical Neuroscience

In Silico Observation of the Conformational Opening of the Glutathione-Binding Site of Microsomal Prostaglandin E2 Synthase-1

(2019) Shuo Zhou et al.   Journal of Chemical Information and Modeling

G Protein-Coupled Receptors as Targets for Approved Drugs: How Many Targets and How Many Drugs?

(2018) Krishna Sriram et al.   MOLECULAR PHARMACOLOGY

Protein dynamic communities from elastic network models align closely to the communities defined by molecular dynamics

(2018) Sambit Kumar Mishra et al.   PLoS One

Phase-plate cryo-EM structure of a biased agonist-bound human GLP-1 receptor–Gs complex

(2018) Yi-Lynn Liang et al.   NATURE

The Pfam protein families database in 2019

(2018) Sara El-Gebali et al.   NUCLEIC ACIDS RESEARCH

Synthesis of 2-imino and 2-hydrazono thiazolo[4,5- d ]pyrimidines as corticotropin releasing factor (CRF) antagonists

(2017) Mohamed Teleb et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Structural insight into the activation of a class B G-protein-coupled receptor by peptide hormones in live human cells

(2017) Lisa Seidel et al.   eLife

Differential Requirement of the Extracellular Domain in Activation of Class B G Protein-coupled Receptors

(2016) Li-Hua Zhao et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins

(2015) Edward Harder et al.   Journal of Chemical Theory and Computation

An insight into antagonist binding and induced conformational dynamics of class B GPCR corticotropin-releasing factor receptor 1

(2015) Junli Xu et al.   Molecular BioSystems

Residues remote from the binding pocket control the antagonist selectivity towards the corticotropin-releasing factor receptor-1

(2015) Xianqiang Sun et al.   Scientific Reports

Conformational thermostabilisation of corticotropin releasing factor receptor 1

(2015) James Kean et al.   Scientific Reports

Genetically Encoded Chemical Probes in Cells Reveal the Binding Path of Urocortin-I to CRF Class B GPCR

(2013) Irene Coin et al.   CELL

Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments

(2013) G. Madhavi Sastry et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Structure of class B GPCR corticotropin-releasing factor receptor 1

(2013) Kaspar Hollenstein et al.   NATURE

Structure and mechanism for recognition of peptide hormones by Class B G-protein-coupled receptors

(2012) Kuntal Pal et al.   ACTA PHARMACOLOGICA SINICA

NetworkView: 3D display and analysis of protein{middle dot}RNA interaction networks

(2012) J. Eargle et al.   BIOINFORMATICS

ProDy: Protein Dynamics Inferred from Theory and Experiments

(2011) A. Bakan et al.   BIOINFORMATICS

Second Extracellular Loop of Human Glucagon-like Peptide-1 Receptor (GLP-1R) Has a Critical Role in GLP-1 Peptide Binding and Receptor Activation

(2011) Cassandra Koole et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

MILCH SHAKE: An efficient method for constraint dynamics applied to alkanes

(2009) A. G. Bailey et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

I-TASSER server for protein 3D structure prediction

(2008) Yang Zhang   BMC BIOINFORMATICS

Cannabinoid CB1 and CB2 Receptor Ligand Specificity and the Development of CB2-Selective Agonists

(2008) John Ashton et al.   CURRENT MEDICINAL CHEMISTRY

Molecular Recognition of Corticotropin-releasing Factor by Its G-protein-coupled Receptor CRFR1

(2008) Augen A. Pioszak et al.   JOURNAL OF BIOLOGICAL CHEMISTRY