Kinetics, in silico docking, molecular dynamics, and MM-GBSA binding studies on prototype indirubins, KT5720, and staurosporine as phosphorylase kinase ATP-binding site inhibitors: the role of water molecules examined.

Kinetics, in silico docking, molecular dynamics, and MM-GBSA binding studies on prototype indirubins, KT5720, and staurosporine as phosphorylase kinase ATP-binding site inhibitors: the role of water molecules examined.

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http://www.wikidata.org/entity/Q38337597
hCINAP is an atypical mammalian nuclear adenylate kinase with an ATPase motif: Structural and functional studiesThe σ-hole phenomenon of halogen atoms forms the structural basis of the strong inhibitory potency of C5 halogen substituted glucopyranosyl nucleosides towards glycogen phosphorylase b3'-axial CH2 OH substitution on glucopyranose does not increase glycogen phosphorylase inhibitory potency. QM/MM-PBSA calculations suggest whyNatural flavonoids as antidiabetic agents. The binding of gallic and ellagic acids to glycogen phosphorylase bDifferences in the binding affinities of ErbB family: heterogeneity in the prediction of resistance mutantsDesign, sythesis and evaluation of a series of 3- or 4-alkoxy substituted phenoxy derivatives as PPARs agonists.Binding structures of tri-N-acetyl-β-glucosamine in hen egg white lysozyme using molecular dynamics with a polarizable force field.Structure guided design of potent and selective ponatinib-based hybrid inhibitors for RIPK1.E-pharmacophore-based virtual screening to identify GSK-3β inhibitors.Structural signatures of DRD4 mutants revealed using molecular dynamics simulations: Implications for drug targeting.Interactions of omeprazole-based analogues with cytochrome P450 2C19: a computational study.Molecular modeling of methyl-α-Neu5Ac analogues docked against cholera toxin--a molecular dynamics study.Molecular simulation of N-acetylneuraminic acid analogs and molecular dynamics studies of cholera toxin-Neu5Gc complex.Evidence for novel action at the cell binding site of human Angiogenin revealed by heteronuclear NMR spectroscopy, in silico and in vivo studies.Virtual identification of novel PPARα/γ dual agonists by scaffold hopping of saroglitazar.Identification of novel PPARα/γ dual agonists by virtual screening, ADMET prediction and molecular dynamics simulations.Genome-based approaches to develop epitope-driven subunit vaccines against pathogens of infective endocarditis.Targeting Nucleotide Binding Domain of Multidrug Resistance-associated Protein-1 (MRP1) for the Reversal of Multi Drug Resistance in Cancer
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Kinetics, in silico docking, molecular dynamics, and MM-GBSA binding studies on prototype indirubins, KT5720, and staurosporine as phosphorylase kinase ATP-binding site inhibitors: the role of water molecules examined.

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http://www.wikidata.org/entity/Q38337597
description
2010 nî lūn-bûn
@nan
2010年の論文
@ja
2010年学术文章
@wuu
2010年学术文章
@zh-cn
2010年学术文章
@zh-hans
2010年学术文章
@zh-my
2010年学术文章
@zh-sg
2010年學術文章
@yue
2010年學術文章
@zh
2010年學術文章
@zh-hant
name
Kinetics, in silico docking, m ...... e of water molecules examined.
@en
type
label
Kinetics, in silico docking, m ...... e of water molecules examined.
@en
prefLabel
Kinetics, in silico docking, m ...... e of water molecules examined.
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P1433
P1476
P2093
P2860
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P698
P921
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P1433
P1476
Kinetics, in silico docking, m ...... e of water molecules examined.
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P2093
P2860
P304
P31
P356
P407
P433
P478
P577
P698
P921