| scholarly article | Q13442814 |
| P2093 | author name string | Yuan Yuan | |
| Ran Wang | |||
| Chuan Li | |||
| Menglong Li | |||
| Tao Liang | |||
| Xuemei Pu | |||
| Yanzhi Guo | |||
| P2860 | cites work | Structure of a nanobody-stabilized active state of the β(2) adrenoceptor | Q24597139 |
| Structure and function of an irreversible agonist-β(2) adrenoceptor complex | Q24620291 | ||
| Crystal structure of the β2 adrenergic receptor-Gs protein complex | Q24635327 | ||
| Identification of two distinct inactive conformations of the beta2-adrenergic receptor reconciles structural and biochemical observations | Q24645752 | ||
| High-resolution crystal structure of an engineered human beta2-adrenergic G protein-coupled receptor | Q24657484 | ||
| A Specific Cholesterol Binding Site Is Established by the 2.8 Å Structure of the Human β2-Adrenergic Receptor | Q27650801 | ||
| Crystal structure of opsin in its G-protein-interacting conformation | Q27652301 | ||
| Conserved Binding Mode of Human β 2 Adrenergic Receptor Inverse Agonists and Antagonist Revealed by X-ray Crystallography | Q27663654 | ||
| VMD: visual molecular dynamics | Q27860554 | ||
| PubChem Substance and Compound databases | Q27942588 | ||
| Dynamics of folded proteins | Q28287584 | ||
| Recommendations for evaluation of computational methods | Q28755020 | ||
| The meaning and use of the area under a receiver operating characteristic (ROC) curve | Q29547182 | ||
| A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations | Q29547632 | ||
| Development and testing of a general amber force field | Q29547642 | ||
| AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility | Q29547658 | ||
| ZINC: a free tool to discover chemistry for biology | Q29615857 | ||
| Exploring the mechanism of F282L mutation-caused constitutive activity of GPCR by a computational study | Q30394046 | ||
| Pathway and mechanism of drug binding to G-protein-coupled receptors. | Q30503489 | ||
| Simulations of biased agonists in the β(2) adrenergic receptor with accelerated molecular dynamics | Q30544125 | ||
| Dynamic models of G-protein coupled receptor dimers: indications of asymmetry in the rhodopsin dimer from molecular dynamics simulations in a POPC bilayer. | Q33825866 | ||
| Putative active states of a prototypic g-protein-coupled receptor from biased molecular dynamics. | Q33858599 | ||
| Ligand-dependent activation and deactivation of the human adenosine A(2A) receptor. | Q33998174 | ||
| Conformational Transition Pathways of Epidermal Growth Factor Receptor Kinase Domain from Multiple Molecular Dynamics Simulations and Bayesian Clustering | Q34045014 | ||
| The conformational transition pathways of ATP-binding cassette transporter BtuCD revealed by targeted molecular dynamics simulation | Q34137778 | ||
| Modeling, molecular dynamics simulation, and mutation validation for structure of cannabinoid receptor 2 based on known crystal structures of GPCRs. | Q34222925 | ||
| Structural insights into µ-opioid receptor activation | Q34488374 | ||
| Role of the conserved NPxxY(x)5,6F motif in the rhodopsin ground state and during activation | Q34804778 | ||
| Conformational transition pathway in the allosteric process of human glucokinase | Q35037241 | ||
| Virtual fragment screening on GPCRs: a case study on dopamine D3 and histamine H4 receptors. | Q35114298 | ||
| Activation mechanism of the β2-adrenergic receptor | Q35558683 | ||
| Structural Insights into the Dynamic Process of β2-Adrenergic Receptor Signaling | Q35638953 | ||
| Pharmacological chaperone action on G-protein-coupled receptors. | Q35879860 | ||
| Analysis and elimination of a bias in targeted molecular dynamics simulations of conformational transitions: application to calmodulin | Q36120569 | ||
| Ligand Discovery for a Peptide-Binding GPCR by Structure-Based Screening of Fragment- and Lead-Like Chemical Libraries | Q36235361 | ||
| Conformational changes in the G protein Gs induced by the β2 adrenergic receptor | Q36252945 | ||
| Structural basis for selectivity and diversity in angiotensin II receptors | Q36335687 | ||
| Molecular mechanisms of beta(2)-adrenergic receptor function, response, and regulation | Q36357733 | ||
| GLIDA: GPCR--ligand database for chemical genomics drug discovery--database and tools update | Q36454245 | ||
| Molecular dynamics: survey of methods for simulating the activity of proteins | Q36472758 | ||
| Ligand-stabilized conformational states of human beta(2) adrenergic receptor: insight into G-protein-coupled receptor activation | Q36481447 | ||
| The dynamic process of β(2)-adrenergic receptor activation | Q36651876 | ||
| Activation and dynamic network of the M2 muscarinic receptor | Q36990877 | ||
| How to do an evaluation: pitfalls and traps | Q37064087 | ||
| The effect of ligand efficacy on the formation and stability of a GPCR-G protein complex | Q37200963 | ||
| Catecholamine binding to the beta-adrenergic receptor | Q37581625 | ||
| Progress in structure based drug design for G protein-coupled receptors | Q37880053 | ||
| Unifying family A GPCR theories of activation | Q38190328 | ||
| An Efficient Metadynamics-Based Protocol To Model the Binding Affinity and the Transition State Ensemble of G-Protein-Coupled Receptor Ligands | Q38814799 | ||
| GPCR Dynamics: Structures in Motion | Q38953232 | ||
| Allosteric coupling from G protein to the agonist-binding pocket in GPCRs | Q39643038 | ||
| Basic principles of ROC analysis | Q39680201 | ||
| Structural insights into conformational stability of wild-type and mutant beta1-adrenergic receptor. | Q41866579 | ||
| Mapping functional group free energy patterns at protein occluded sites: nuclear receptors and G-protein coupled receptors | Q42110736 | ||
| Directory of useful decoys, enhanced (DUD-E): better ligands and decoys for better benchmarking | Q42251037 | ||
| Computational mapping of the conformational transitions in agonist selective pathways of a G-protein coupled receptor. | Q43126562 | ||
| Class I phospho-inositide-3-kinases (PI3Ks) isoform-specific inhibition study by the combination of docking and molecular dynamics simulation | Q43238017 | ||
| Lessons from 60 years of pharmaceutical innovation | Q43447062 | ||
| Structural basis for modulation of a G-protein-coupled receptor by allosteric drugs. | Q50470980 | ||
| Assessing an ensemble docking-based virtual screening strategy for kinase targets by considering protein flexibility. | Q51036228 | ||
| Identification of novel phosphodiesterase-4D inhibitors prescreened by molecular dynamics-augmented modeling and validated by bioassay. | Q51823232 | ||
| Understanding the conformation transition in the activation pathway of β2 adrenergic receptor via a targeted molecular dynamics simulation. | Q53665507 | ||
| The impact of molecular dynamics sampling on the performance of virtual screening against GPCRs. | Q54781021 | ||
| Structure-Based Prediction of G-Protein-Coupled Receptor Ligand Function: A β-Adrenoceptor Case Study | Q56991400 | ||
| 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 | Q57275094 | ||
| Critical Role for the Second Extracellular Loop in the Binding of Both Orthosteric and Allosteric G Protein-coupled Receptor Ligands | Q57838214 | ||
| Studies on the Interactions between β2 Adrenergic Receptor and Gs Protein by Molecular Dynamics Simulations | Q58195321 | ||
| Targeted molecular dynamics: a new approach for searching pathways of conformational transitions | Q72696166 | ||
| Multiple residues in the second extracellular loop are critical for M3 muscarinic acetylcholine receptor activation | Q79527348 | ||
| A negative cooperativity mechanism of human CYP2E1 inferred from molecular dynamics simulations and free energy calculations | Q82475640 | ||
| Activation of G-protein-coupled receptors correlates with the formation of a continuous internal water pathway | Q85277884 | ||
| A coupling of homology modeling with multiple molecular dynamics simulation for identifying representative conformation of GPCR structures: a case study on human bombesin receptor subtype-3 | Q87384614 | ||
| P433 | issue | 12 | |
| P304 | page(s) | 8557-8567 | |
| P577 | publication date | 2017-12-01 | |
| P1433 | published in | ACS Omega | Q27727647 |
| P1476 | title | Structural Features and Ligand Selectivity for 10 Intermediates in the Activation Process of β2-Adrenergic Receptor | |
| P478 | volume | 2 |
| Q91583484 | Probing the Druggablility on the Interface of the Protein-Protein Interaction and Its Allosteric Regulation Mechanism on the Drug Screening for the CXCR4 Homodimer | cites work | P2860 |
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