A comparative study of trypsin specificity based on QM/MM molecular dynamics simulation and QM/MM GBSA calculation.
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Probing Difference in Binding Modes of Inhibitors to MDMX by Molecular Dynamics Simulations and Different Free Energy MethodsProbing Origin of Binding Difference of inhibitors to MDM2 and MDMX by Polarizable Molecular Dynamics Simulation and QM/MM-GBSA CalculationQuantum mechanics implementation in drug-design workflows: does it really help?Computational revelation of binding mechanisms of inhibitors to endocellular protein tyrosine phosphatase 1B using molecular dynamics simulations.Depuration of Cadmium from Blue Mussel (Mytilus edulis) by Protein Hydrolysate-Fe2+ Complex: The Role of Metallothionein.A computational insight into binding modes of inhibitors XD29, XD35, and XD28 to bromodomain-containing protein 4 based on molecular dynamics simulations.Clarifying binding difference of ATP and ADP to extracellular signal-regulated kinase 2 by using molecular dynamics simulations.Functional roles of magnesium binding to extracellular signal-regulated kinase 2 explored by molecular dynamics simulations and principal component analysis.
P2860
Q28550543-302D82F4-7CDF-49EC-8B2E-8754973FD7BFQ36329555-04C58CDA-9746-49F8-9A6E-80EEC11EF4B8Q41633463-D1D0F6E4-44C3-490D-AB65-76C1FF0FD51FQ47629500-DBB8776D-B9C5-4A46-A2BA-C784B2DD59B3Q47654423-4D22149C-1B47-4868-A17C-EC1FED441275Q51023008-BFB8740D-9583-4143-A8AE-5A1983D42F17Q51437778-D5FD15BF-4468-45CC-A438-9D5A715A9210Q53605638-DFDB8CC5-71FA-44B2-9347-5F4CA19B36F6
P2860
A comparative study of trypsin specificity based on QM/MM molecular dynamics simulation and QM/MM GBSA calculation.
description
2015 nî lūn-bûn
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2015年の論文
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2015年学术文章
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2015年学术文章
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2015年学术文章
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2015年学术文章
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2015年学术文章
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2015年学术文章
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2015年學術文章
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name
A comparative study of trypsin ...... on and QM/MM GBSA calculation.
@en
A comparative study of trypsin ...... on and QM/MM GBSA calculation.
@nl
type
label
A comparative study of trypsin ...... on and QM/MM GBSA calculation.
@en
A comparative study of trypsin ...... on and QM/MM GBSA calculation.
@nl
prefLabel
A comparative study of trypsin ...... on and QM/MM GBSA calculation.
@en
A comparative study of trypsin ...... on and QM/MM GBSA calculation.
@nl
P2093
P2860
P1476
A comparative study of trypsin ...... on and QM/MM GBSA calculation.
@en
P2093
Jianzhong Chen
Jinan Wang
Kaixian Chen
Qinggang Zhang
Weiliang Zhu
P2860
P304
P356
10.1080/07391102.2014.1003146
P577
2015-01-06T00:00:00Z