GEMDOCK: a generic evolutionary method for molecular docking.
about
Antimalarial activity of potential inhibitors of Plasmodium falciparum lactate dehydrogenase enzyme selected by docking studiesMEDock: a web server for efficient prediction of ligand binding sites based on a novel optimization algorithmCombinatorial Computational Approaches to Identify Tetracycline Derivatives as Flavivirus InhibitorsStructures of Helicobacter pylori Shikimate Kinase Reveal a Selective Inhibitor-Induced-Fit MechanismCore site-moiety maps reveal inhibitors and binding mechanisms of orthologous proteins by screening compound librariesParallel screening of wild-type and drug-resistant targets for anti-resistance neuraminidase inhibitorsPathway-based screening strategy for multitarget inhibitors of diverse proteins in metabolic pathwaysA drug delivery strategy: binding enkephalin to asialoglycoprotein receptor by enzymatic galactosylationAcetylcholinesterase and Cytotoxic Activity of Chemical Constituents of Clutia lanceolata Leaves and its Molecular Docking StudyEco-friendly synthesis, physicochemical studies, biological assay and molecular docking of steroidal oxime-ethersMolecular Docking Study for Inhibitors of Aggregatibacter actinomycetamcomitans Toxins in Treatment of Aggressive PerioodontitisArtefacts and biases affecting the evaluation of scoring functions on decoy sets for protein structure prediction.An integrated approach with new strategies for QSAR models and lead optimization.In silico modeling of the specific inhibitory potential of thiophene-2,3-dihydro-1,5-benzothiazepine against BChE in the formation of beta-amyloid plaques associated with Alzheimer's disease.Virtual Screening and Molecular Dynamics Simulations from a Bank of Molecules of the Amazon Region Against Functional NS3-4A Protease-Helicase Enzyme of Hepatitis C Virus.An interaction-motif-based scoring function for protein-ligand docking.TSCC: Two-Stage Combinatorial Clustering for virtual screening using protein-ligand interactions and physicochemical features.iGEMDOCK: a graphical environment of enhancing GEMDOCK using pharmacological interactions and post-screening analysis.SiMMap: a web server for inferring site-moiety map to recognize interaction preferences between protein pockets and compound moieties.Pharmacophore Modeling and Molecular Docking Studies on Pinus roxburghii as a Target for Diabetes Mellitus.Delineation of the Structural Elements of Oriental Liver Fluke PLA2 Isoforms for Potent Drug Designing.KDM4B as a target for prostate cancer: structural analysis and selective inhibition by a novel inhibitor.Sanjeevini: a freely accessible web-server for target directed lead molecule discoveryLactobacillus plantarum WCFS1 β-Fructosidase: Evidence for an Open Funnel-Like Channel Through the Catalytic Domain with Importance for the Substrate Selectivity.Computational analysis of KRAS mutations: implications for different effects on the KRAS p.G12D and p.G13D mutations.Characterization of putative cholesterol recognition/interaction amino acid consensus-like motif of Campylobacter jejuni cytolethal distending toxin CSelective Mycobacterium tuberculosis Shikimate Kinase Inhibitors as Potential Antibacterials.A lupane-triterpene isolated from Combretum leprosum Mart. fruit extracts that interferes with the intracellular development of Leishmania (L.) amazonensis in vitro.Anchor-based classification and type-C inhibitors for tyrosine kinases.Novel Anthra[1,2-c][1,2,5]Thiadiazole-6,11-Diones as Promising Anticancer Lead Compounds: Biological Evaluation, Characterization & Molecular Targets DeterminationKIDFamMap: a database of kinase-inhibitor-disease family maps for kinase inhibitor selectivity and binding mechanisms.Ligand discovery and virtual screening using the program LIDAEUS.Water at biomolecular binding interfaces.Molecular docking studies of quercetin and its analogues against human inducible nitric oxide synthase.Molecular docking study and antiviral evaluation of 2-thioxo-benzo[g]quinazolin-4(3H)-one derivatives.Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to go.Identification of Protein-Excipient Interaction Hotspots Using Computational Approaches.Targeting the XIAP/caspase-7 complex selectively kills caspase-3-deficient malignancies.Preparation, characterization and evaluation of (186) Re-idarubicin: a novel agent for diagnosis and treatment of hepatocellular carcinoma.Physicochemical analyses of a bioactive 4-aminoantipyrine analogue - synthesis, crystal structure, solid state interactions, antibacterial, conformational and docking studies.
P2860
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P2860
GEMDOCK: a generic evolutionary method for molecular docking.
description
2004 nî lūn-bûn
@nan
2004年の論文
@ja
2004年論文
@yue
2004年論文
@zh-hant
2004年論文
@zh-hk
2004年論文
@zh-mo
2004年論文
@zh-tw
2004年论文
@wuu
2004年论文
@zh
2004年论文
@zh-cn
name
GEMDOCK: a generic evolutionary method for molecular docking.
@en
type
label
GEMDOCK: a generic evolutionary method for molecular docking.
@en
prefLabel
GEMDOCK: a generic evolutionary method for molecular docking.
@en
P356
P1433
P1476
GEMDOCK: a generic evolutionary method for molecular docking
@en
P2093
Chun-Chen Chen
P304
P356
10.1002/PROT.20035
P407
P577
2004-05-01T00:00:00Z