Comparison of several molecular docking programs: pose prediction and virtual screening accuracy.
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Surfing the Protein-Protein Interaction Surface Using Docking Methods: Application to the Design of PPI InhibitorsComputational methods in drug discoveryDiscovery of Mer kinase inhibitors by virtual screening using Structural Protein-Ligand Interaction Fingerprints.Targeting Acetylcholinesterase: Identification of Chemical Leads by High Throughput Screening, Structure Determination and Molecular ModelingBenchmark of four popular virtual screening programs: construction of the active/decoy dataset remains a major determinant of measured performancePredictiveness curves in virtual screeningLead Finder docking and virtual screening evaluation with Astex and DUD test setsComparing neural-network scoring functions and the state of the art: applications to common library screeningAutoClickChem: click chemistry in silicoGraphlet signature-based scoring method to estimate protein-ligand binding affinitySoftware and resources for computational medicinal chemistryThe power metric: a new statistically robust enrichment-type metric for virtual screening applications with early recovery capabilityBuilding a virtual ligand screening pipeline using free software: a surveyProtein structure prediction provides comparable performance to crystallographic structures in docking-based virtual screening.Ultrafast protein structure-based virtual screening with Panther.Beyond Membrane Protein Structure: Drug Discovery, Dynamics and Difficulties.Comprehensive structural and functional characterization of the human kinome by protein structure modeling and ligand virtual screening.Computational methods in drug discovery.CSAR benchmark exercise 2011-2012: evaluation of results from docking and relative ranking of blinded congeneric seriesStructural protein-ligand interaction fingerprints (SPLIF) for structure-based virtual screening: method and benchmark study.Docking challenge: protein sampling and molecular docking performance.Flexibility and binding affinity in protein-ligand, protein-protein and multi-component protein interactions: limitations of current computational approaches.PharmDock: a pharmacophore-based docking program.Probing the human estrogen receptor-α binding requirements for phenolic mono- and di-hydroxyl compounds: a combined synthesis, binding and docking study.Experimental validation of FINDSITE(comb) virtual ligand screening results for eight proteins yields novel nanomolar and micromolar binders.Identification of alternative binding sites for inhibitors of HIV-1 ribonuclease H through comparative analysis of virtual enrichment studiesNovel human mPGES-1 inhibitors identified through structure-based virtual screening.The interprotein scoring noises in glide docking scores.Fragment-based docking: development of the CHARMMing Web user interface as a platform for computer-aided drug design.Ligand-based virtual screening approach using a new scoring functionPL-PatchSurfer: a novel molecular local surface-based method for exploring protein-ligand interactions.High-Throughput parallel blind Virtual Screening using BINDSURF.FINDSITE(comb): a threading/structure-based, proteomic-scale virtual ligand screening approachBinding modes of peptidomimetics designed to inhibit STAT3.Message passing interface and multithreading hybrid for parallel molecular docking of large databases on petascale high performance computing machines.Luteolin is a novel p90 ribosomal S6 kinase (RSK) inhibitor that suppresses Notch4 signaling by blocking the activation of Y-box binding protein-1 (YB-1)Fragment-based lead discovery on G-protein-coupled receptors.Predicting binding within disordered protein regions to structurally characterised peptide-binding domains.MoDock: A multi-objective strategy improves the accuracy for molecular docking.Molecular docking: a powerful approach for structure-based drug discovery
P2860
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P2860
Comparison of several molecular docking programs: pose prediction and virtual screening accuracy.
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
Comparison of several molecula ...... nd virtual screening accuracy.
@en
Comparison of several molecula ...... nd virtual screening accuracy.
@nl
type
label
Comparison of several molecula ...... nd virtual screening accuracy.
@en
Comparison of several molecula ...... nd virtual screening accuracy.
@nl
prefLabel
Comparison of several molecula ...... nd virtual screening accuracy.
@en
Comparison of several molecula ...... nd virtual screening accuracy.
@nl
P2093
P356
P1476
Comparison of several molecula ...... and virtual screening accuracy
@en
P2093
Brajesh K Rai
Christine Humblet
J Christian Baber
Jason B Cross
Kristi Yi Fan
P304
P356
10.1021/CI900056C
P577
2009-06-01T00:00:00Z