4.6 Article

Revisiting the Allosteric Regulation of Sodium Cation on the Binding of Adenosine at the Human A2A Adenosine Receptor: Insights from Supervised Molecular Dynamics (SuMD) Simulations

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Biochemistry & Molecular Biology

Dynamic Role of the G Protein in Stabilizing the Active State of the Adenosine A2A Receptor

Sangbae Lee et al.

STRUCTURE (2019)

Review Pharmacology & Pharmacy

New paradigms in adenosine receptor pharmacology: allostery, oligomerization and biased agonism

Elizabeth A. Vecchio et al.

BRITISH JOURNAL OF PHARMACOLOGY (2018)

Article Biochemistry & Molecular Biology

Intracellular Transfer of Na+ in an Active-State G-Protein-Coupled Receptor

Owen N. Vickery et al.

STRUCTURE (2018)

Article Multidisciplinary Sciences

Enabling STD-NMR fragment screening using stabilized native GPCR: A case study of adenosine receptor

Sebastien Igonet et al.

SCIENTIFIC REPORTS (2018)

Review Chemistry, Multidisciplinary

GPCR Dynamics: Structures in Motion

Naomi R. Latorraca et al.

CHEMICAL REVIEWS (2017)

Article Biotechnology & Applied Microbiology

Trends in GPCR drug discovery: new agents, targets and indications

Alexander S. Hauser et al.

NATURE REVIEWS DRUG DISCOVERY (2017)

Article Biochemistry & Molecular Biology

Exploring Protein-Peptide Recognition Pathways Using a Supervised Molecular Dynamics Approach

Veronica Salmaso et al.

STRUCTURE (2017)

Review Pharmacology & Pharmacy

Human Adenosine A2A Receptor: Molecular Mechanism of Ligand Binding and Activation

Byron Carpenter et al.

FRONTIERS IN PHARMACOLOGY (2017)

Review Biochemistry & Molecular Biology

How Ligands Illuminate GPCR Molecular Pharmacology

Daniel Wacker et al.

Article Chemistry, Medicinal

Deciphering the Complexity of Ligand-Protein Recognition Pathways Using Supervised Molecular Dynamics (SuMD) Simulations

Alberto Cuzzolin et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2016)

Article Pharmacology & Pharmacy

Sodium Ion Binding Pocket Mutations and Adenosine A2A Receptor Function

Arnault Massink et al.

MOLECULAR PHARMACOLOGY (2015)

Article Biochemistry & Molecular Biology

Mechanistic Insights into the Allosteric Modulation of Opioid Receptors by Sodium Ions

Yi Shang et al.

BIOCHEMISTRY (2014)

Article Chemistry, Medicinal

Supervised Molecular Dynamics (SuMD) as a Helpful Tool To Depict GPCR-Ligand Recognition Pathway in a Nanosecond Time Scale

Davide Sabbadin et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2014)

Article Chemistry, Physical

POVME 2.0: An Enhanced Tool for Determining Pocket Shape and Volume Characteristics

Jacob D. Durrant et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)

Review Biochemistry & Molecular Biology

Allosteric sodium in class A GPCR signaling

Vsevolod Katritch et al.

TRENDS IN BIOCHEMICAL SCIENCES (2014)

Article Chemistry, Multidisciplinary

CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR data

Jing Huang et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2013)

Review Biotechnology & Applied Microbiology

Emerging paradigms in GPCR allostery: implications for drug discovery

Denise Wootten et al.

NATURE REVIEWS DRUG DISCOVERY (2013)

Article Biochemistry & Molecular Biology

Antagonist binding and induced conformational dynamics of GPCR A2A adenosine receptor

Xueqin Pang et al.

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2013)

Article Biochemistry & Molecular Biology

The Role of a Sodium Ion Binding Site in the Allosteric Modulation of the A2A Adenosine G Protein-Coupled Receptor

Hugo Gutierrez-de-Teran et al.

STRUCTURE (2013)

Article Chemistry, Medicinal

Automation of the CHARMM General Force Field (CGenFF) II: Assignment of Bonded Parameters and Partial Atomic Charges

K. Vanommeslaeghe et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2012)

Article Chemistry, Medicinal

Automation of the CHARMM General Force Field (CGenFF) I: Bond Perception and Atom Typing

K. Vanommeslaeghe et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2012)

Article Multidisciplinary Sciences

Structural Basis for Allosteric Regulation of GPCRs by Sodium Ions

Wei Liu et al.

SCIENCE (2012)

Article Biochemical Research Methods

ProDy: Protein Dynamics Inferred from Theory and Experiments

Ahmet Bakan et al.

BIOINFORMATICS (2011)

Article Multidisciplinary Sciences

Agonist-bound adenosine A2A receptor structures reveal common features of GPCR activation

Guillaume Lebon et al.

NATURE (2011)

Article Chemistry, Physical

ACEMD: Accelerating Biomolecular Dynamics in the Microsecond Time Scale

M. J. Harvey et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)

Article Biochemical Research Methods

OPM: Orientations of proteins in membranes database

MA Lomize et al.

BIOINFORMATICS (2006)

Article Pharmacology & Pharmacy

Allosteric modulation of A2A adenosine receptors by amiloride analogues and sodium ions

ZG Gao et al.

BIOCHEMICAL PHARMACOLOGY (2000)

Article Biochemistry & Molecular Biology

The Protein Data Bank

HM Berman et al.

NUCLEIC ACIDS RESEARCH (2000)