Ligand-induced modulation of the free-energy landscape of G protein-coupled receptors explored by adaptive biasing techniques
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Computational study on the different ligands induced conformation change of β2 adrenergic receptor-Gs protein complexSearch for β2 adrenergic receptor ligands by virtual screening via grid computing and investigation of binding modes by docking and molecular dynamics simulationsComparison of dynamics of extracellular accesses to the β(1) and β(2) adrenoceptors binding sites uncovers the potential of kinetic basis of antagonist selectivity.Simulations of biased agonists in the β(2) adrenergic receptor with accelerated molecular dynamics.Structure-based simulations reveal concerted dynamics of GPCR activationLigand-dependent activation and deactivation of the human adenosine A(2A) receptor.Decoding the signaling of a GPCR heteromeric complex reveals a unifying mechanism of action of antipsychotic drugs.Ligand-dependent conformations and dynamics of the serotonin 5-HT(2A) receptor determine its activation and membrane-driven oligomerization propertiesCurrent progress in Structure-Based Rational Drug Design marks a new mindset in drug discoveryAllosteric effects of sodium ion binding on activation of the m3 muscarinic g-protein-coupled receptor.Ensemble of G protein-coupled receptor active states.AIM for Allostery: Using the Ising Model to Understand Information Processing and Transmission in Allosteric Biomolecular Systems.Activation and dynamic network of the M2 muscarinic receptor.Thermostabilization of the β1-adrenergic receptor correlates with increased entropy of the inactive state.Cholesterol-dependent Conformational Plasticity in GPCR Dimers.Accelerated structure-based design of chemically diverse allosteric modulators of a muscarinic G protein-coupled receptor.Graded activation and free energy landscapes of a muscarinic G-protein-coupled receptor.The Allostery Landscape: Quantifying Thermodynamic Couplings in Biomolecular Systems.Free energy landscape of G-protein coupled receptors, explored by accelerated molecular dynamicsGeneral trends of dihedral conformational transitions in a globular protein.Beyond standard molecular dynamics: investigating the molecular mechanisms of G protein-coupled receptors with enhanced molecular dynamics methods.G-protein coupled receptors: advances in simulation and drug discovery.Update on melatonin receptors: IUPHAR Review 20.In silico Exploration of the Conformational Universe of GPCRs.Agouti signalling protein is an inverse agonist to the wildtype and agonist to the melanic variant of the melanocortin-1 receptor in the grey squirrel (Sciurus carolinensis).Approaches for Differentiation and Interconverting GPCR Agonists and Antagonists.GPCRs: What Can We Learn from Molecular Dynamics Simulations?Patterns of coevolving amino acids unveil structural and dynamical domains.Exploration of the antagonist CP-376395 escape pathway for the corticotropin-releasing factor receptor 1 by random acceleration molecular dynamics simulations.Ligand induced change of β2adrenergic receptor from active to inactive conformation and its implication for the closed/open state of the water channel: insight from molecular dynamics simulation, free energy calculation and Markov state model analys
P2860
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P2860
Ligand-induced modulation of the free-energy landscape of G protein-coupled receptors explored by adaptive biasing techniques
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2011 nî lūn-bûn
@nan
2011 թուականի Հոկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2011 թվականի հոտեմբերին հրատարակված գիտական հոդված
@hy
2011年の論文
@ja
2011年論文
@yue
2011年論文
@zh-hant
2011年論文
@zh-hk
2011年論文
@zh-mo
2011年論文
@zh-tw
2011年论文
@wuu
name
Ligand-induced modulation of t ...... by adaptive biasing techniques
@ast
Ligand-induced modulation of t ...... by adaptive biasing techniques
@en
Ligand-induced modulation of t ...... by adaptive biasing techniques
@nl
type
label
Ligand-induced modulation of t ...... by adaptive biasing techniques
@ast
Ligand-induced modulation of t ...... by adaptive biasing techniques
@en
Ligand-induced modulation of t ...... by adaptive biasing techniques
@nl
prefLabel
Ligand-induced modulation of t ...... by adaptive biasing techniques
@ast
Ligand-induced modulation of t ...... by adaptive biasing techniques
@en
Ligand-induced modulation of t ...... by adaptive biasing techniques
@nl
P2093
P2860
P1476
Ligand-induced modulation of t ...... by adaptive biasing techniques
@en
P2093
Davide Provasi
Marta Camacho Artacho
P2860
P304
P356
10.1371/JOURNAL.PCBI.1002193
P577
2011-10-13T00:00:00Z