EADock: docking of small molecules into protein active sites with a multiobjective evolutionary optimization.
about
Structure-function analyses point to a polynucleotide-accommodating groove essential for APOBEC3A restriction activitiesMolecular docking and structure-based drug design strategiesSwissParam: A fast force field generation tool for small organic moleculesAn effective docking strategy for virtual screening based on multi-objective optimization algorithm.Cyndi: a multi-objective evolution algorithm based method for bioactive molecular conformational generation.Exome sequencing identifies SLCO2A1 mutations as a cause of primary hypertrophic osteoarthropathyAdvances and challenges in protein-ligand dockingSanjeevini: a freely accessible web-server for target directed lead molecule discoveryHistidine 352 (His352) and tryptophan 355 (Trp355) are essential for flax UGT74S1 glucosylation activity toward secoisolariciresinol.Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to go.Pharmacological chaperones as a potential therapeutic option in methylmalonic aciduria cblB type.A model of peptide triazole entry inhibitor binding to HIV-1 gp120 and the mechanism of bridging sheet disruptionDocking, virtual high throughput screening and in silico fragment-based drug designAnthocyanins and proanthocyanidins from blueberry-blackberry fermented beverages inhibit markers of inflammation in macrophages and carbohydrate-utilizing enzymes in vitro.Biochemical Characterization of the Detoxifying Enzyme Glutathione Transferase P1-1 from the Camel Camelus Dromedarius.Small molecule antivirulents targeting the iron-regulated heme oxygenase (HemO) of P. aeruginosa.S4MPLE--Sampler for Multiple Protein-Ligand Entities: Methodology and Rigid-Site Docking Benchmarking.Identification of a Flavonoid Glucosyltransferase Involved in 7-OH Site Glycosylation in Tea plants (Camellia sinensis).Inhibition of VEGF: a novel mechanism to control angiogenesis by Withania somnifera's key metabolite Withaferin A.Solving molecular docking problems with multi-objective metaheuristics.Attracting cavities for docking. Replacing the rough energy landscape of the protein by a smooth attracting landscape.Toward prediction of functional protein pockets using blind docking and pocket search algorithms.Further analysis and comparative study of intermolecular interactions using dimers from the S22 database.GaudiMM: A modular multi-objective platform for molecular modeling.Molecular interactions with redox sites and salt bridges modulate the anti-aggregatory effect of flavonoid, tannin and cardenolide moieties against amyloid-beta (1-42) in silicoA new era for small molecule screening: from new targets, such as JAK2 V617F, to complex cellular screens.Engineered Biomolecular Recognition of RDX by Using a Thermostable Alcohol Dehydrogenase as a Protein Scaffold.Molecular Docking Optimization in the Context of Multi-Drug Resistant and Sensitive EGFR Mutants.BetaDock: shape-priority docking method based on beta-complex.Analysis of β-tubulin-carbendazim interaction reveals that binding site for MBC fungicides does not include residues involved in fungicide resistance.Quantum Chemical Approaches in Structure-Based Virtual Screening and Lead Optimization.Inhibition of Protein Aggregation by Several Antioxidants.Biological Evaluation and Docking Studies of Synthetic Oleanane-type TriterpenoidsStructural Analysis of Variability and Interaction of the N-terminal of the Oncogenic Effector CagA of with Phosphatidylserine
P2860
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P2860
EADock: docking of small molecules into protein active sites with a multiobjective evolutionary optimization.
description
2007 nî lūn-bûn
@nan
2007年の論文
@ja
2007年学术文章
@wuu
2007年学术文章
@zh
2007年学术文章
@zh-cn
2007年学术文章
@zh-hans
2007年学术文章
@zh-my
2007年学术文章
@zh-sg
2007年學術文章
@yue
2007年學術文章
@zh-hant
name
EADock: docking of small molec ...... ive evolutionary optimization.
@en
EADock: docking of small molec ...... ive evolutionary optimization.
@nl
type
label
EADock: docking of small molec ...... ive evolutionary optimization.
@en
EADock: docking of small molec ...... ive evolutionary optimization.
@nl
prefLabel
EADock: docking of small molec ...... ive evolutionary optimization.
@en
EADock: docking of small molec ...... ive evolutionary optimization.
@nl
P356
P1433
P1476
EADock: docking of small molec ...... tive evolutionary optimization
@en
P2093
Olivier Michielin
Vincent Zoete
P304
P356
10.1002/PROT.21367
P407
P577
2007-06-01T00:00:00Z