DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases
about
Apolipoprotein E4: a causative factor and therapeutic target in neuropathology, including Alzheimer's diseaseHierarchical docking of databases of multiple ligand conformationsRational design of human DNA ligase inhibitors that target cellular DNA replication and repairMolecular flexibility in ab initio drug docking to DNA: binding-site and binding-mode transitions in all-atom Monte Carlo simulations"Rules of Engagement" of Protein-Glycoconjugate Interactions: A Molecular View Achievable by using NMR Spectroscopy and Molecular ModelingPrinciples and Overview of Sampling Methods for Modeling Macromolecular Structure and DynamicsPharmacophore Models and Pharmacophore-Based Virtual Screening: Concepts and Applications Exemplified on Hydroxysteroid DehydrogenasesInsights into Protein-Ligand Interactions: Mechanisms, Models, and MethodsComputational drug design strategies applied to the modelling of human immunodeficiency virus-1 reverse transcriptase inhibitorsMolecular docking and structure-based drug design strategiesSurfing the Protein-Protein Interaction Surface Using Docking Methods: Application to the Design of PPI InhibitorsBlind prediction of HIV integrase binding from the SAMPL4 challengeStructure-based virtual screening for drug discovery: a problem-centric reviewConformational transition pathway in the activation process of allosteric glucokinaseHarvesting candidate genes responsible for serious adverse drug reactions from a chemical-protein interactomeInhibitory complex of the transmembrane ammonia channel, AmtB, and the cytosolic regulatory protein, GlnK, at 1.96 AStructure of tRNA pseudouridine synthase TruB and its RNA complex: RNA recognition through a combination of rigid docking and induced fitStructural basis of substrate-binding specificity of human arylamine N-acetyltransferasesA Small-Molecule Inhibitor of BCL6 Kills DLBCL Cells In Vitro and In VivoCalculating an optimal box size for ligand docking and virtual screening against experimental and predicted binding pocketsVirtual Screening Approaches towards the Discovery of Toll-Like Receptor ModulatorsSupport vector regression scoring of receptor-ligand complexes for rank-ordering and virtual screening of chemical librariesAndrogen and Progesterone Receptors Are Targets for Bisphenol A (BPA), 4-Methyl-2,4-bis-(P-Hydroxyphenyl)Pent-1-Ene--A Potent Metabolite of BPA, and 4-Tert-Octylphenol: A Computational InsightIdentifying unexpected therapeutic targets via chemical-protein interactomeVirtual screening for HIV protease inhibitors: a comparison of AutoDock 4 and VinaNovel naphthalene-based inhibitors of Trypanosoma brucei RNA editing ligase 1FINDSITE: a threading-based approach to ligand homology modelingHigh-performance drug discovery: computational screening by combining docking and molecular dynamics simulationsVirtual high-throughput screening identifies mycophenolic acid as a novel RNA capping inhibitorElimination of endogenous toxin, creatinine from blood plasma depends on albumin conformation: site specific uremic toxicity & impaired drug bindingExploring off-targets and off-systems for adverse drug reactions via chemical-protein interactome--clozapine-induced agranulocytosis as a case studyComputational modeling-based discovery of novel classes of anti-inflammatory drugs that target lanthionine synthetase C-like protein 2An efficient computational method for calculating ligand binding affinitiesApplication of consensus scoring and principal component analysis for virtual screening against β-secretase (BACE-1)Parallel screening of wild-type and drug-resistant targets for anti-resistance neuraminidase inhibitorsLigand pose and orientational sampling in molecular dockingPathway-based screening strategy for multitarget inhibitors of diverse proteins in metabolic pathwaysAnticancer compound plumbagin and its molecular targets: a structural insight into the inhibitory mechanisms using computational approachesComputational insights into the inhibitory mechanism of human AKT1 by an orally active inhibitor, MK-2206Multifunctional roles for the PH domain of Dbs in regulating Rho GTPase activation
P2860
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P2860
DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases
description
2001 nî lūn-bûn
@nan
2001 թուականի Մայիսին հրատարակուած գիտական յօդուած
@hyw
2001 թվականի մայիսին հրատարակված գիտական հոդված
@hy
2001年の論文
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2001年論文
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2001年論文
@zh-hant
2001年論文
@zh-hk
2001年論文
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2001年論文
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2001年论文
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name
DOCK 4.0: Search strategies fo ...... of flexible molecule databases
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DOCK 4.0: Search strategies fo ...... of flexible molecule databases
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DOCK 4.0: Search strategies fo ...... of flexible molecule databases
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DOCK 4.0: Search strategies fo ...... of flexible molecule databases
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DOCK 4.0: Search strategies fo ...... of flexible molecule databases
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DOCK 4.0: Search strategies fo ...... of flexible molecule databases
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DOCK 4.0: Search strategies fo ...... of flexible molecule databases
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DOCK 4.0: Search strategies fo ...... of flexible molecule databases
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DOCK 4.0: Search strategies fo ...... of flexible molecule databases
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DOCK 4.0: Search strategies fo ...... of flexible molecule databases
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DOCK 4.0: Search strategies fo ...... of flexible molecule databases
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DOCK 4.0: Search strategies fo ...... of flexible molecule databases
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10.1023/A:1011115820450
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2001-05-01T00:00:00Z
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1024234487