about
Modification of S-Adenosyl-l-Homocysteine as Inhibitor of Nonstructural Protein 5 Methyltransferase Dengue Virus Through Molecular Docking and Molecular Dynamics Simulation.Molecular docking and analgesic studies of Erythrina variegata׳s derived phytochemicals with COX enzymes.Structural Analysis of the Binding of Type I, I1/2, and II Inhibitors to Eph Tyrosine Kinases.Latest advances in molecular topology applications for drug discovery.Enhanced molecular dynamics sampling of drug target conformations.Computational allosteric ligand binding site identification on Ras proteins.The potential role of in silico approaches to identify novel bioactive molecules from natural resources.Advanced molecular dynamics simulation methods for kinase drug discovery.Coupling of the non-amyloid-component (NAC) domain and the KTK(E/Q)GV repeats stabilize the α-synuclein fibrils.Ligand- and structure-based in silico studies to identify kinesin spindle protein (KSP) inhibitors as potential anticancer agents.Design of potent B-RafV600E inhibitors by multiple copy simulation search strategy.Performance of multiple docking and refinement methods in the pose prediction D3R prospective Grand Challenge 2016.Multisystem altruistic metadynamics-Well-tempered variant.Binding Free Energy Calculations of Nine FDA-approved Protease Inhibitors Against HIV-1 Subtype C I36T↑T Containing 100 Amino Acids Per Monomer.Scrutiny of the mechanism of small molecule inhibitor preventing conformational transition of amyloid-β42 monomer: insights from molecular dynamics simulations.Finding the molecular scaffold of nuclear receptor inhibitors through high-throughput screening based on proteochemometric modelling.Allosteric inhibition of c-Met kinase in sub-microsecond molecular dynamics simulations induced by its inhibitor, tivantinib.Rational Design of Highly Potent and Slow-Binding Cytochrome bc1 Inhibitor as Fungicide by Computational Substitution Optimization.Aromatic Rings Commonly Used in Medicinal Chemistry: Force Fields Comparison and Interactions With Water Toward the Design of New Chemical Entities.Insights into the Folding of Disulfide-Rich μ-ConotoxinsExploration of ligand binding modes towards the identification of compounds targeting HuR: a combined STD-NMR and Molecular Modelling approach
P2860
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P2860
description
2014 nî lūn-bûn
@nan
2014 թուականի Օգոստոսին հրատարակուած գիտական յօդուած
@hyw
2014 թվականի օգոստոսին հրատարակված գիտական հոդված
@hy
2014年の論文
@ja
2014年論文
@yue
2014年論文
@zh-hant
2014年論文
@zh-hk
2014年論文
@zh-mo
2014年論文
@zh-tw
2014年论文
@wuu
name
Molecular dynamics in drug design.
@ast
Molecular dynamics in drug design.
@en
type
label
Molecular dynamics in drug design.
@ast
Molecular dynamics in drug design.
@en
prefLabel
Molecular dynamics in drug design.
@ast
Molecular dynamics in drug design.
@en
P1476
Molecular dynamics in drug design
@en
P2093
Amedeo Caflisch
P356
10.1016/J.EJMECH.2014.08.004
P50
P577
2014-08-04T00:00:00Z