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。Probing biased activation of mu-opioid receptor by the biased agonist PZM21 using all atom molecular dynamics simulation
Siyan Liao et al.
LIFE SCIENCES (2021)
Activation Mechanism of Corticotrophin Releasing Factor Receptor Type 1 Elucidated Using Molecular Dynamics Simulations
Abdullahi Ibrahim Uba et al.
ACS CHEMICAL NEUROSCIENCE (2021)
Delineating the conformational landscape of the adenosine A2A receptor during G protein coupling
Shuya Kate Huang et al.
CELL (2021)
Revealing atomic-scale molecular diffusion of a plant-transcription factor WRKY domain protein along DNA
Liqiang Dai et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2021)
Computational Insights Into the Inhibition Mechanism of Proanthocyanidin B2 on Tau Hexapeptide (PHF6) Oligomer
Qin Li et al.
FRONTIERS IN CHEMISTRY (2021)
Exploring the Activation Mechanism of a Metabotropic Glutamate Receptor Homodimer via Molecular Dynamics Simulation
Ting Lei et al.
ACS CHEMICAL NEUROSCIENCE (2020)
Structure of the neurotensin receptor 1 in complex with β-arrestin 1
Weijiao Huang et al.
NATURE (2020)
Structure of the M2 muscarinic receptor-β-arrestin complex in a lipid nanodisc
Dean P. Staus et al.
NATURE (2020)
Molecular mechanism of biased signaling in a prototypical G protein-coupled receptor
Carl-Mikael Suomivuori et al.
SCIENCE (2020)
Biased Signaling of the G-Protein-Coupled Receptor β2AR Is Governed by Conformational Exchange Kinetics
Rajan Lamichhane et al.
STRUCTURE (2020)
GDP Release from the Open Conformation of Gα Requires Allosteric Signaling from the Agonist-Bound Human β2 Adrenergic Receptor
Vikash Kumar et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2020)
Molecular basis of β-arrestin coupling to formoterol-bound β1-adrenoceptor
Yang Lee et al.
NATURE (2020)
Mechanism of β-arrestin recruitment by the μ-opioid G protein-coupled receptor
Amirhossein Mafi et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2020)
Conformational Basis of G Protein-Coupled Receptor Signaling Versatility
Laura M. Wingler et al.
TRENDS IN CELL BIOLOGY (2020)
Pharmacological insight into the activation of the human neuropeptide FF2 receptor
Franck Talmont et al.
PEPTIDES (2020)
Unveiling conformational dynamics changes of H-Ras induced by mutations based on accelerated molecular dynamics
Jianzhong Chen et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)
How do mutations affect the structural characteristics and substrate binding of CYP21A2? An investigation by molecular dynamics simulations
Baihui Lin et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)
Dynamic Role of the G Protein in Stabilizing the Active State of the Adenosine A2A Receptor
Sangbae Lee et al.
STRUCTURE (2019)
GPCR Signaling Regulation: The Role of GRKs and Arrestins
Vsevolod V. Gurevich et al.
FRONTIERS IN PHARMACOLOGY (2019)
Structures of the M1 and M2 muscarinic acetylcholine receptor/G-protein complexes
Shoji Maeda et al.
SCIENCE (2019)
Molecular basis for high-affinity agonist binding in GPCRs
Tony Warne et al.
SCIENCE (2019)
End-Point Binding Free Energy Calculation with MM/PBSA and MM/GBSA: Strategies and Applications in Drug Design
Ercheng Wang et al.
CHEMICAL REVIEWS (2019)
Mechanistic Insights into Specific G Protein Interactions with Adenosine Receptors
Jinan Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2019)
Conformational transitions of a neurotensin receptor 1-Gi1 complex
Hideaki E. Kato et al.
NATURE (2019)
Understanding G Protein Selectivity of Muscarinic Acetylcholine Receptors Using Computational Methods
Luis Jaimes Santiago et al.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2019)
Mechanism of Hormone Peptide Activation of a GPCR: Angiotensin II Activated State of AT(1)R Initiated by van der Waals Attraction
Khuraijam Dhanachandra Singh et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2019)
Investigation of ECD conformational transition mechanism of GLP-1R by molecular dynamics simulations and Markov state model
Jintu Zhang et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2019)
Biased Ligands of G Protein-Coupled Receptors (GPCRs): Structure-Functional Selectivity Relationships (SFSRs) and Therapeutic Potential
Liang Tan et al.
JOURNAL OF MEDICINAL CHEMISTRY (2018)
Molecular mechanism of GPCR-mediated arrestin activation
Naomi R. Latorraca et al.
NATURE (2018)
Biased signalling: from simple switches to allosteric microprocessors
Jeffrey S. Smith et al.
NATURE REVIEWS DRUG DISCOVERY (2018)
Structure and dynamics of GPCR signaling complexes
Daniel Hilger et al.
NATURE STRUCTURAL & MOLECULAR BIOLOGY (2018)
Structure and dynamics of GPCR signaling complexes
Daniel Hilger et al.
NATURE STRUCTURAL & MOLECULAR BIOLOGY (2018)
Shining Light on Molecular Mechanism for Odor-selectivity of CNT-immobilized Olfactory Receptor
Liyun Zhang et al.
SCIENTIFIC REPORTS (2018)
Measuring ligand efficacy at the muopioid receptor using a conformational biosensor
Kathryn E. Livingston et al.
ELIFE (2018)
Structure of the μ-opioid receptor-Gi protein complex
Antoine Koehl et al.
NATURE (2018)
Mechanisms of signalling and biased agonism in G protein-coupled receptors
Denise Wootten et al.
NATURE REVIEWS MOLECULAR CELL BIOLOGY (2018)
Structural determinants of 5-HT2B receptor activation and biased agonism
John D. McCorvy et al.
NATURE STRUCTURAL & MOLECULAR BIOLOGY (2018)
GPCR Dynamics: Structures in Motion
Naomi R. Latorraca et al.
CHEMICAL REVIEWS (2017)
Trends in GPCR drug discovery: new agents, targets and indications
Alexander S. Hauser et al.
NATURE REVIEWS DRUG DISCOVERY (2017)
Investigating allosteric effects on the functional dynamics of β2-adrenergic ternary complexes with enhanced-sampling simulations
Noureldin Saleh et al.
CHEMICAL SCIENCE (2017)
CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field
Jumin Lee et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
How Oliceridine (TRV-130) Binds and Stabilizes a μ-Opioid Receptor Conformational State That Selectively Triggers G Protein Signaling Pathways
Sebastian Schneider et al.
BIOCHEMISTRY (2016)
Biased agonism: An emerging paradigm in GPCR drug discovery
Zoran Rankovic et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2016)
The β-Arrestins: Multifunctional Regulators of G Protein-coupled Receptors
Jeffrey S. Smith et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2016)
Structure-Based Design of Peptidic Inhibitors of the Interaction between CC Chemokine Ligand 5 (CCL5) and Human Neutrophil Peptides 1 (HNP1)
Kanin Wichapong et al.
JOURNAL OF MEDICINAL CHEMISTRY (2016)
Allosteric coupling from G protein to the agonist-binding pocket in GPCRs
Brian T. DeVree et al.
NATURE (2016)
Diverse activation pathways in class A GPCRs converge near the G-protein-coupling region
A. J. Venkatakrishnan et al.
NATURE (2016)
Exploring the mechanism of F282L mutation-caused constitutive activity of GPCR by a computational study
Nan Gao et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
The true nature of rotary movements in rotaxanes
Peng Liu et al.
CHEMICAL SCIENCE (2016)
Allosteric Effects of Sodium Ion Binding on Activation of the M3 Muscarinic G-Protein-Coupled Receptor
Yinglong Miao et al.
BIOPHYSICAL JOURNAL (2015)
Structural Insights into the Dynamic Process of β2-Adrenergic Receptor Signaling
Aashish Manglik et al.
CELL (2015)
ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB
James A. Maier et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Structural insights into μ-opioid receptor activation
Weijiao Huang et al.
NATURE (2015)
Accelerated molecular dynamics simulations of ligand binding to a muscarinic G-protein-coupled receptor
Kalli Kappel et al.
QUARTERLY REVIEWS OF BIOPHYSICS (2015)
Lipid14: The Amber Lipid Force Field
Callum J. Dickson et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)
Free energy landscape of G-protein coupled receptors, explored by accelerated molecular dynamics
Yinglong Miao et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
Activation and dynamic network of the M2 muscarinic receptor
Yinglong Miao et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2013)
Structural Features for Functional Selectivity at Serotonin Receptors
Daniel Wacker et al.
SCIENCE (2013)
GPCR activation: protonation and membrane potential
Xuejun C. Zhang et al.
PROTEIN & CELL (2013)
Molecular Mechanism of beta-Arrestin-Biased Agonism at Seven-Transmembrane Receptors
Eric Reiter et al.
ANNUAL REVIEW OF PHARMACOLOGY AND TOXICOLOGY, VOL 52 (2012)
MMPBSA.py: An Efficient Program for End-State Free Energy Calculations
Bill R. Miller et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Biased Signaling Pathways in β2-Adrenergic Receptor Characterized by 19F-NMR
Jeffrey J. Liu et al.
SCIENCE (2012)
Efficacy of the β2-adrenergic receptor is determined by conformational equilibrium in the transmembrane region
Yutaka Kofuku et al.
NATURE COMMUNICATIONS (2012)
Structure of a nanobody-stabilized active state of the β2 adrenoceptor
Soren G. F. Rasmussen et al.
NATURE (2011)
Studying functional dynamics in bio-molecules using accelerated molecular dynamics
Phineus R. L. Markwick et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Conformational dynamics of helix 8 in the GPCR rhodopsin controls arrestin activation in the desensitization process
Kristina Kirchberg et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2011)
Understanding Functional Residues of the Cannabinoid CB1 Receptor for Drug Discovery
Joong-Youn Shim
CURRENT TOPICS IN MEDICINAL CHEMISTRY (2010)
CHARMM General Force Field: A Force Field for Drug-Like Molecules Compatible with the CHARMM All-Atom Additive Biological Force Fields
K. Vanommeslaeghe et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2010)
Intra and Inter-Molecular Communications Through Protein Structure Network
Saraswathi Vishveshwara et al.
CURRENT PROTEIN & PEPTIDE SCIENCE (2009)
Dynamical networks in tRNA: protein complexes
Anurag Sethi et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2009)
Functional role of the Ionic Lock - An interhelical hydrogen-bond network in family a heptahelical receptors
Reiner Vogel et al.
JOURNAL OF MOLECULAR BIOLOGY (2008)
Sampling of slow diffusive conformational transitions with accelerated molecular dynamics
Donald Hamelberg et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Accelerated molecular dynamics: A promising and efficient simulation method for biomolecules
D Hamelberg et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Activation of the β2-adrenergic receptor involves disruption of an ionic lock between the cytoplasmic ends of transmembrane segments 3 and 6
JA Ballesteros et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2001)
A robust GTP-induced shift in α2-adrenoceptor agonist affinity in tissue sections from rat brain
DB Bylund et al.
JOURNAL OF NEUROSCIENCE METHODS (2001)
分享论文
