Assessing the performance of the MM/PBSA and MM/GBSA methods. 6. Capability to predict protein-protein binding free energies and re-rank binding poses generated by protein-protein docking.
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Molecular dynamics investigations of membrane-bound CYP2C19 polymorphisms reveal distinct mechanisms for peripheral variants by long-range effects on the enzymatic activity.Molecular dynamics and MM/GBSA-integrated protocol probing the correlation between biological activities and binding free energies of HIV-1 TAR RNA inhibitors.Role of R292K mutation in influenza H7N9 neuraminidase toward oseltamivir susceptibility: MD and MM/PB(GB)SA study.HawkRank: a new scoring function for protein-protein docking based on weighted energy terms.Flavonoids as potent allosteric inhibitors of protein tyrosine phosphatase 1B: molecular dynamics simulation and free energy calculation.Exploring the influence of hyperthermophilic protein Ssh10b on the stability and conformation of RNA by molecular dynamics simulation.Molecular dynamics investigation of stereoselective inhibition mechanism of HIF-2α/ARNT heterodimer.Recent Developments and Applications of the MMPBSA Method.Revealing vilazodone's binding mechanism underlying its partial agonism to the 5-HT1A receptor in the treatment of major depressive disorder.Prediction of luciferase inhibitors by the high-performance MIEC-GBDT approach based on interaction energetic patterns.Influence of EGCG on α-synuclein (αS) aggregation and identification of their possible binding mode: A computational study using molecular dynamics simulation.Theoretical studies on the selective mechanisms of GSK3β and CDK2 by molecular dynamics simulations and free energy calculations.A fragment-based docking simulation for investigating peptide-protein bindings.Molecular Dynamics Studies on the Enzalutamide Resistance Mechanisms Induced by Androgen Receptor Mutations.Molecular mechanism of R-bicalutamide switching from androgen receptor antagonist to agonist induced by amino acid mutations using molecular dynamics simulations and free energy calculation.Recent advances in automated protein design and its future challenges.Exploring the Interaction Mechanism Between Cyclopeptide DC3 and Androgen Receptor Using Molecular Dynamics Simulations and Free Energy Calculations.Assessing the performance of MM/PBSA and MM/GBSA methods. 8. Predicting binding free energies and poses of protein-RNA complexesExploring the Reasons for Decrease in Binding Affinity of HIV-2 Against HIV-1 Protease Complex Using Interaction Entropy Under Polarized Force FieldPhosphorylation promotes binding affinity of Rap-Raf complex by allosteric modulation of switch loop dynamicsMolecular Dynamics Exploration of Selectivity of Dual Inhibitors 5M7, 65X, and 65Z toward Fatty Acid Binding Proteins 4 and 5Deciphering the Odorant Binding, Activation, and Discrimination Mechanism of Dhelobp21 from Dastarus Helophoroides
P2860
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P2860
Assessing the performance of the MM/PBSA and MM/GBSA methods. 6. Capability to predict protein-protein binding free energies and re-rank binding poses generated by protein-protein docking.
description
2016 nî lūn-bûn
@nan
2016年の論文
@ja
2016年論文
@yue
2016年論文
@zh-hant
2016年論文
@zh-hk
2016年論文
@zh-mo
2016年論文
@zh-tw
2016年论文
@wuu
2016年论文
@zh
2016年论文
@zh-cn
name
Assessing the performance of t ...... ed by protein-protein docking.
@en
Assessing the performance of t ...... ed by protein-protein docking.
@nl
type
label
Assessing the performance of t ...... ed by protein-protein docking.
@en
Assessing the performance of t ...... ed by protein-protein docking.
@nl
prefLabel
Assessing the performance of t ...... ed by protein-protein docking.
@en
Assessing the performance of t ...... ed by protein-protein docking.
@nl
P2093
P2860
P356
P1476
Assessing the performance of t ...... ed by protein-protein docking.
@en
P2093
P2860
P304
22129-22139
P356
10.1039/C6CP03670H
P407
P50
P577
2016-07-22T00:00:00Z