A fast flexible docking method using an incremental construction algorithm.
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Localization of putative binding sites for cyclic guanosine monophosphate and the anti-cancer drug 5-fluoro-2'-deoxyuridine-5'-monophosphate on ABCC11 in silico modelsHierarchical docking of databases of multiple ligand conformations1,2-dithiole-3-ones as potent inhibitors of the bacterial 3-ketoacyl acyl carrier protein synthase III (FabH)The binding conformation of Taxol in beta-tubulin: a model based on electron crystallographic densityDiazepam-bound GABAA receptor models identify new benzodiazepine binding-site ligandsDelineation of Polypharmacology across the Human Structural Kinome Using a Functional Site Interaction Fingerprint ApproachFlexible ligand docking using conformational ensemblesThe structure of human ADP-ribosylhydrolase 3 (ARH3) provides insights into the reversibility of protein ADP-ribosylationThe maximal affinity of ligandsInsights into Protein-Ligand Interactions: Mechanisms, Models, and MethodsMolecular docking and structure-based drug design strategiesProtein flexibility in docking and surface mappingComputational methods in drug discoveryStructure-based virtual screening for drug discovery: a problem-centric reviewAn ordered water channel in Staphylococcus aureus FabI: unraveling the mechanism of substrate recognition and reduction.Molecular basis of telaprevir resistance due to V36 and T54 mutations in the NS3-4A protease of the hepatitis C virusA Structure-Based Approach to Ligand Discovery for 2 C -Methyl- d -erythritol-2,4-cyclodiphosphate Synthase: A Target for Antimicrobial Therapy †How to replace the residual solvation shell of polar active site residues to achieve nanomolar inhibition of tRNA-guanine transglycosylaseFragment-based lead discovery: screening and optimizing fragments for thermolysin inhibitionStructural basis of ligand specificity in the human pentraxins, C-reactive protein and serum amyloid P componentCrystal structure of a new benzoic acid inhibitor of influenza neuraminidase bound with a new tilt induced by overpacking subsite C6Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (ACP) Reductase InhibitorThe lab oddity prevails: discovery of pan-CDK inhibitor (R)-S-cyclopropyl-S-(4-{[4-{[(1R,2R)-2-hydroxy-1-methylpropyl]oxy}-5-(trifluoromethyl)pyrimidin-2-yl]amino}phenyl)sulfoximide (BAY 1000394) for the treatment of cancerApplication of the PM6 semi-empirical method to modeling proteins enhances docking accuracy of AutoDockStructural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10Benchmark of four popular virtual screening programs: construction of the active/decoy dataset remains a major determinant of measured performanceCalculating an optimal box size for ligand docking and virtual screening against experimental and predicted binding pocketsvSDC: a method to improve early recognition in virtual screening when limited experimental resources are availableFast automated placement of polar hydrogen atoms in protein-ligand complexesVirtual Screening Approaches towards the Discovery of Toll-Like Receptor ModulatorsChance favors the prepared mind--from serendipity to rational drug designCharacterization of small molecule binding. I. Accurate identification of strong inhibitors in virtual screeningA consistent description of HYdrogen bond and DEhydration energies in protein-ligand complexes: methods behind the HYDE scoring functionDevelop and test a solvent accessible surface area-based model in conformational entropy calculationsPredicting drug-target interaction networks based on functional groups and biological featuresVirtual screening for HIV protease inhibitors: a comparison of AutoDock 4 and VinaNovel naphthalene-based inhibitors of Trypanosoma brucei RNA editing ligase 1High-performance drug discovery: computational screening by combining docking and molecular dynamics simulationsExploring the landscape of protein-ligand interaction energy using probabilistic approachTriazole fungicides can induce cross-resistance to medical triazoles in Aspergillus fumigatus
P2860
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P2860
A fast flexible docking method using an incremental construction algorithm.
description
1996 nî lūn-bûn
@nan
1996年の論文
@ja
1996年学术文章
@wuu
1996年学术文章
@zh
1996年学术文章
@zh-cn
1996年学术文章
@zh-hans
1996年学术文章
@zh-my
1996年学术文章
@zh-sg
1996年學術文章
@yue
1996年學術文章
@zh-hant
name
A fast flexible docking method using an incremental construction algorithm.
@en
A fast flexible docking method using an incremental construction algorithm.
@nl
type
label
A fast flexible docking method using an incremental construction algorithm.
@en
A fast flexible docking method using an incremental construction algorithm.
@nl
prefLabel
A fast flexible docking method using an incremental construction algorithm.
@en
A fast flexible docking method using an incremental construction algorithm.
@nl
P356
P1476
A fast flexible docking method using an incremental construction algorithm
@en
P2093
P304
P356
10.1006/JMBI.1996.0477
P407
P577
1996-08-01T00:00:00Z