Comparative study of several algorithms for flexible ligand docking.
about
MEDock: a web server for efficient prediction of ligand binding sites based on a novel optimization algorithm( R )-β,γ-Fluoromethylene-dGTP-DNA Ternary Complex with DNA Polymerase βAutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreadingVirtual Screening Approaches towards the Discovery of Toll-Like Receptor ModulatorsNovel naphthalene-based inhibitors of Trypanosoma brucei RNA editing ligase 1High-performance drug discovery: computational screening by combining docking and molecular dynamics simulationsSoftware and resources for computational medicinal chemistryDrug design for ever, from hype to hopePotential drug-like inhibitors of Group 1 influenza neuraminidase identified through computer-aided drug design.AutoGrow: a novel algorithm for protein inhibitor designStructure-based substrate screening for an enzyme.Pharmacophore-based virtual screening versus docking-based virtual screening: a benchmark comparison against eight targets.Binding affinity prediction with property-encoded shape distribution signaturesUsing free energy of binding calculations to improve the accuracy of virtual screening predictions.Application of a novel in silico high-throughput screen to identify selective inhibitors for protein-protein interactionsThe flexible pocketome engine for structural chemogenomics.Structure based prediction of subtype-selectivity for adenosine receptor antagonistsAdvances and challenges in protein-ligand dockingStructure-based inhibitor design of AccD5, an essential acyl-CoA carboxylase carboxyltransferase domain of Mycobacterium tuberculosisThe Importance of Ligand-Receptor Conformational Pairs in Stabilization: Spotlight on the N/OFQ G Protein-Coupled ReceptorParallelized-over-parts computation of absolute binding free energy with docking and molecular dynamics.Non-bisphosphonate inhibitors of isoprenoid biosynthesis identified via computer-aided drug design.Identification of binding sites and favorable ligand binding moieties by virtual screening and self-organizing map analysis.Steric and thermodynamic limits of design for the incorporation of large unnatural amino acids in aminoacyl-tRNA synthetase enzymes.How well do the substrates KISS the enzyme? Molecular docking program selection for feruloyl esterases.In-vitro antiproliferative activity of benzopyranone derivatives in comparison with standard chemotherapeutic drugsStructural systems biology and multiscale signaling models.Structural Basis for Ligand Recognition and Functional Selectivity at Angiotensin ReceptorPutative histidine kinase inhibitors with antibacterial effect against multi-drug resistant clinical isolates identified by in vitro and in silico screens.How to do an evaluation: pitfalls and traps.Docking, virtual high throughput screening and in silico fragment-based drug designQ-Dock: Low-resolution flexible ligand docking with pocket-specific threading restraints.An Evaluation of Explicit Receptor Flexibility in Molecular Docking Using Molecular Dynamics and Torsion Angle Molecular DynamicsValidation of molecular docking programs for virtual screening against dihydropteroate synthase.Ionic channels as targets for drug design: a review on computational methods.Comparative evaluation of several docking tools for docking small molecule ligands to DC-SIGN.Construction and test of ligand decoy sets using MDock: community structure-activity resource benchmarks for binding mode prediction.Flexible CDOCKER: Development and application of a pseudo-explicit structure-based docking method within CHARMMDocking-based virtual screening of Brazilian natural compounds using the OOMT as the pharmacological target database.Ginsenoside F2 possesses anti-obesity activity via binding with PPARγ and inhibiting adipocyte differentiation in the 3T3-L1 cell line.
P2860
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P2860
Comparative study of several algorithms for flexible ligand docking.
description
2003 nî lūn-bûn
@nan
2003 թուականի Նոյեմբերին հրատարակուած գիտական յօդուած
@hyw
2003 թվականի նոյեմբերին հրատարակված գիտական հոդված
@hy
2003年の論文
@ja
2003年論文
@yue
2003年論文
@zh-hant
2003年論文
@zh-hk
2003年論文
@zh-mo
2003年論文
@zh-tw
2003年论文
@wuu
name
Comparative study of several algorithms for flexible ligand docking.
@ast
Comparative study of several algorithms for flexible ligand docking.
@en
type
label
Comparative study of several algorithms for flexible ligand docking.
@ast
Comparative study of several algorithms for flexible ligand docking.
@en
prefLabel
Comparative study of several algorithms for flexible ligand docking.
@ast
Comparative study of several algorithms for flexible ligand docking.
@en
P2093
P1476
Comparative study of several algorithms for flexible ligand docking.
@en
P2093
Badry D Bursulaya
Charles L Brooks
Maxim Totrov
P304
P356
10.1023/B:JCAM.0000017496.76572.6F
P577
2003-11-01T00:00:00Z
P6179
1015610748