Mixed-solvent molecular dynamics simulation-based discovery of a putative allosteric site on regulator of G protein signaling 4.

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作者： Wallace K B,Chan ^[1] ; Debarati,DasGupta ^[2] ; Heather A,Carlson ^[2] ; John R,Traynor ^[1]

作者单位： Department of Pharmacology, Edward F Domino Research Center, University of Michigan, Ann Arbor, Michigan, USA. ^[1] Department of Medicinal Chemistry, University of Michigan, Ann Arbor, Michigan, USA. ^[2]

关键词 allosteric site prediction computational solvent mapping regulator of G protein signaling

主题词别构部位(Allosteric Site);钙调蛋白(Calmodulin);药物释放系统(Drug Delivery Systems);药物设计(Drug Design);模型, 化学(Models, Chemical);分子动力学模拟(Molecular Dynamics Simulation);磷脂酰肌醇类(Phosphatidylinositols);RGS蛋白质类(RGS Proteins)

DOI 10.1002/jcc.26747

PMID 34494289

发布时间 2022-11-16

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Journal of computational chemistry

2021年42卷30期

2170-2180页

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Mixed-solvent molecular dynamics simulation-based discovery of a putative allosteric site on regulator of G protein signaling 4.

Journal of computational chemistry

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Journal of computational chemistry

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Mixed-solvent molecular dynamics simulation-based discovery of a putative allosteric site on regulator of G protein signaling 4.

Journal of computational chemistry

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Journal of computational chemistry

相关期刊

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