Binding estimation after refinement, a new automated procedure for the refinement and rescoring of docked ligands in virtual screening.
about
The interaction of RNA helicase DDX3 with HIV-1 Rev-CRM1-RanGTP complex during the HIV replication cycleMolecular mechanism of carbon nanotube to activate Subtilisin Carlsberg in polar and non-polar organic mediaEffects of organic solvents and substrate binding on trypsin in acetonitrile and hexane media.Probing immobilization mechanism of alpha-chymotrypsin onto carbon nanotube in organic media by molecular dynamics simulation.WISDOM-II: screening against multiple targets implicated in malaria using computational grid infrastructures.BEAR, a novel virtual screening methodology for drug discovery.Knowledge-guided docking: accurate prospective prediction of bound configurations of novel ligands using Surflex-Dock.Challenges and advances in computational docking: 2009 in review.The cloud and other new computational methods to improve molecular modelling.Prediction of the substrate for nonribosomal peptide synthetase (NRPS) adenylation domains by virtual screening.Towards automated binding affinity prediction using an iterative linear interaction energy approach.High throughput molecular dynamics for drug discovery.Computer-Aided Drug Design Applied to Marine Drug Discovery: Meridianins as Alzheimer's Disease Therapeutic Agents.Assessing protein-ligand binding modes with computational tools: the case of PDE4B.Selective inhibitors of human mPGES-1 from structure-based computational screening.FEW: a workflow tool for free energy calculations of ligand binding.Understanding the effects on constitutive activation and drug binding of a D130N mutation in the β2 adrenergic receptor via molecular dynamics simulation.Assessing protein kinase selectivity with molecular dynamics and mm-pbsa binding free energy calculations.Kororamides, Convolutamines, and Indole Derivatives as Possible Tau and Dual-Specificity Kinase Inhibitors for Alzheimer's Disease: A Computational StudyBridging Molecular Docking to Molecular Dynamics in Exploring Ligand-Protein Recognition Process: An Overview
P2860
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P2860
Binding estimation after refinement, a new automated procedure for the refinement and rescoring of docked ligands in virtual screening.
description
2009 nî lūn-bûn
@nan
2009年の論文
@ja
2009年学术文章
@wuu
2009年学术文章
@zh
2009年学术文章
@zh-cn
2009年学术文章
@zh-hans
2009年学术文章
@zh-my
2009年学术文章
@zh-sg
2009年學術文章
@yue
2009年學術文章
@zh-hant
name
Binding estimation after refin ...... ligands in virtual screening.
@en
Binding estimation after refin ...... ligands in virtual screening.
@nl
type
label
Binding estimation after refin ...... ligands in virtual screening.
@en
Binding estimation after refin ...... ligands in virtual screening.
@nl
prefLabel
Binding estimation after refin ...... ligands in virtual screening.
@en
Binding estimation after refin ...... ligands in virtual screening.
@nl
P1476
Binding estimation after refin ...... ligands in virtual screening.
@en
P2093
Gianluca Degliesposti
Miriam Sgobba
P304
P356
10.1111/J.1747-0285.2009.00780.X
P577
2009-03-01T00:00:00Z