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Investigation of allosteric modulation mechanism of metabotropic glutamate receptor 1 by molecular dynamics simulations, free energy and weak interaction analysisStructural diversity and initial oligomerization of PrP106-126 studied by replica-exchange and conventional molecular dynamics simulationsInfluence of Chirality of Crizotinib on Its MTH1 Protein Inhibitory Activity: Insight from Molecular Dynamics Simulations and Binding Free Energy Calculations.An Intrinsically Disordered Motif Mediates Diverse Actions of Monomeric C-reactive Protein.Dehydrocrenatidine is a novel janus kinase inhibitor.TPCA-1 is a direct dual inhibitor of STAT3 and NF-κB and regresses mutant EGFR-associated human non-small cell lung cancers.Computational study on the interaction between CCR5 and HIV-1 entry inhibitor maraviroc: insight from accelerated molecular dynamics simulation and free energy calculation.Molecular dynamics simulation, binding free energy calculation and unbinding pathway analysis on selectivity difference between FKBP51 and FKBP52: Insight into the molecular mechanism of isoform selectivity.Experimental and Theoretical Insights into the Inhibition Mechanism of Prion Fibrillation by Resveratrol and its Derivatives.Influence of EGCG on α-synuclein (αS) aggregation and identification of their possible binding mode: A computational study using molecular dynamics simulation.Exploration of the antagonist CP-376395 escape pathway for the corticotropin-releasing factor receptor 1 by random acceleration molecular dynamics simulations.Computational studies on horseshoe shape pocket of human orexin receptor type 2 and boat conformation of suvorexant by molecular dynamics simulations.Insights into conformational regulation of PfMATE transporter from Pyrococcus furiosus induced by alternating protonation state of Asp41 residue: A molecular dynamics simulation study.Higher-Ordered Actin Structures Remodeled by Arabidopsis ACTIN-DEPOLYMERIZING FACTOR5 Are Important for Pollen Germination and Pollen Tube Growth.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 analysHow Does Agonist and Antagonist Binding Lead to Different Conformational Ensemble Equilibria of κ-opioid Receptor: Insight from Long-time Gaussian Accelerated Molecular Dynamics SimulationMolecular modeling study on the dynamical structural features of human smoothened receptor and binding mechanism of antagonist LY2940680 by metadynamics simulation and free energy calculationComputational Insight Into the Small Molecule Intervening PD-L1 Dimerization and the Potential Structure-Activity RelationshipRevealing the Positive Binding Cooperativity Mechanism between the Orthosteric and the Allosteric Antagonists of CCR2 by Metadynamics and Gaussian Accelerated Molecular Dynamics SimulationsInvestigation of ECD conformational transition mechanism of GLP-1R by molecular dynamics simulations and Markov state model
P50
Q27344829-CB64A6D1-51FD-480F-8E64-DFB66C8BC86AQ35105911-03C0EB18-0726-4074-97B0-22E89F3A3D36Q35871478-CF30BE3A-F90E-420E-8676-B19805C77D35Q36884724-3AA0D251-6E91-4564-AAE4-2718E387D57CQ38920557-FF1E8C7C-EEFA-4523-979C-A448AE9695B9Q39036426-1C4BCF6F-E167-455D-B5D9-0C78D0D068FEQ41710572-DCE79AE7-14E2-4A82-B9AC-9B6C17E4110EQ47662738-B13CA88A-D7DB-4B99-8BB5-95D0F6221728Q47940859-2AC6F3F8-265F-40B7-BD5B-A12A95D0C8A5Q48191027-1F29DC11-051F-477C-B6E9-0D558B1C0F1CQ48296107-A5FFD00D-A2CB-45B6-AEFF-A05B97343601Q49944258-531F699A-2805-4FB4-99FF-61B76CB488A7Q53797242-FAC71539-C2D1-4CCE-A0C7-C55C781B34DEQ54297538-A435E7FC-73FC-4951-B796-602C82A18BE1Q57275094-D25BDD03-8999-4975-B0F8-F1334ED3CB4BQ58099750-B0BA7C24-9823-4CED-B65D-47D4B77029E1Q87457671-86BD885F-DF09-4230-881C-734C77BA3BADQ91533733-1CDD79FA-267C-4B3F-86E0-196698A788A4Q92851274-EE4BCDBB-FC68-49BE-8A39-3A0E2D5A3DFEQ92915984-FC0D25D6-79F1-4C06-A85A-135ABBA79F4E
P50
description
investigador
@es
researcher
@en
wetenschapper
@nl
name
Qifeng Bai
@en
Qifeng Bai
@nl
type
label
Qifeng Bai
@en
Qifeng Bai
@nl
prefLabel
Qifeng Bai
@en
Qifeng Bai
@nl
P31
P496
0000-0001-7296-6187