Steered molecular dynamics simulations reveal the likelier dissociation pathway of imatinib from its targeting kinases c-Kit and Abl

Steered molecular dynamics simulations reveal the likelier dissociation pathway of imatinib from its targeting kinases c-Kit and Abl

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http://www.wikidata.org/entity/Q28472368
Molecular dynamics simulations suggest that electrostatic funnel directs binding of Tamiflu to influenza N1 neuraminidases.Characterizing changes in the rate of protein-protein dissociation upon interface mutation using hotspot energy and organizationTowards a Molecular Understanding of the Link between Imatinib Resistance and Kinase Conformational DynamicsMolecular basis of ligand dissociation in β-adrenergic receptorsRevealing the favorable dissociation pathway of type II kinase inhibitors via enhanced sampling simulations and two-end-state calculations.Beyond standard molecular dynamics: investigating the molecular mechanisms of G protein-coupled receptors with enhanced molecular dynamics methods.Exploring the free-energy landscapes of biological systems with steered molecular dynamics.Advanced molecular dynamics simulation methods for kinase drug discovery.In silico experiments of single-chain antibody fragment against drugs of abuse.In silico study of Aquaporin V: Effects and affinity of the central pore-occluding lipidInsight into resistance mechanisms of AZD4547 and E3810 to FGFR1 gatekeeper mutation via theoretical study.ART-RRT: As-Rigid-As-Possible exploration of ligand unbinding pathways.Role of Molecular Interactions and Protein Rearrangement in the Dissociation Kinetics of p38α MAP Kinase Type-I/II/III Inhibitors.Molecular principle of the cyclin-dependent kinase selectivity of 4-(thiazol-5-yl)-2-(phenylamino) pyrimidine-5-carbonitrile derivatives revealed by molecular modeling studies.
P2860

Steered molecular dynamics simulations reveal the likelier dissociation pathway of imatinib from its targeting kinases c-Kit and Abl

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http://www.wikidata.org/entity/Q28472368
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2009 nî lūn-bûn
@nan
2009 թուականի Դեկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2009 թվականի դեկտեմբերին հրատարակված գիտական հոդված
@hy
2009年の論文
@ja
2009年論文
@yue
2009年論文
@zh-hant
2009年論文
@zh-hk
2009年論文
@zh-mo
2009年論文
@zh-tw
2009年论文
@wuu
name
Steered molecular dynamics sim ...... argeting kinases c-Kit and Abl
@ast
Steered molecular dynamics sim ...... argeting kinases c-Kit and Abl
@en
Steered molecular dynamics sim ...... argeting kinases c-Kit and Abl
@nl
type
label
Steered molecular dynamics sim ...... argeting kinases c-Kit and Abl
@ast
Steered molecular dynamics sim ...... argeting kinases c-Kit and Abl
@en
Steered molecular dynamics sim ...... argeting kinases c-Kit and Abl
@nl
prefLabel
Steered molecular dynamics sim ...... argeting kinases c-Kit and Abl
@ast
Steered molecular dynamics sim ...... argeting kinases c-Kit and Abl
@en
Steered molecular dynamics sim ...... argeting kinases c-Kit and Abl
@nl
P1433
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P2860
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P356
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P478
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P5875
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P1433
P1476
Steered molecular dynamics sim ...... argeting kinases c-Kit and Abl
@en
P2093
P2860
P304
P31
P356
10.1371/JOURNAL.PONE.0008470
P407
P433
P478
P577
P5875
P698
P921
P932