Thermodynamics calculation of protein–ligand interactions by QM/MM polarizable charge parameters-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Thermodynamics calculation of protein–ligand interactions by QM/MM polarizable charge parameters

Published:2015-03-11 Issue:1 Volume:34 Page:163-176
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Wang Jinan,Shao Qiang,Cossins Benjamin P.,Shi Jiye,Chen Kaixian,Zhu Weiliang

Funder

National Natural Science Foundation of China

Postdoctoral Science Foundation of China

National 863 Program

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

http://www.tandfonline.com/doi/pdf/10.1080/10256018808623883

Reference64 articles.

1. The intrinsic dynamics of enzymes plays a dominant role in determining the structural changes induced upon inhibitor binding

2. A Distal Point Mutation in the Streptavidin−Biotin Complex Preserves Structure but Diminishes Binding Affinity: Experimental Evidence of Electronic Polarization Effects?

3. High-Throughput Calculation of Protein−Ligand Binding Affinities: Modification and Adaptation of the MM-PBSA Protocol to Enterprise Grid Computing

4. Revealing Origin of Decrease in Potency of Darunavir and Amprenavir against HIV-2 relative to HIV-1 Protease by Molecular Dynamics Simulations

Cited by 27 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. MM-GBSA and QM/MM simulation-based in silico approaches for the inhibition of Acinetobacter baumannii class D OXA-24 β-lactamase using antimicrobial peptides melittin and RP-1;Chemical Physics Impact;2024-06

2. Mechanism of Ligand Discrimination by the NMT1 Riboswitch;Journal of Chemical Information and Modeling;2023-07-24

3. Binding interaction of a potential statin with β-lactoglobulin: An in silico approach;Journal of Molecular Graphics and Modelling;2022-03

4. Experimental and Computational Models for Side Chain Discrimination in Peptide–Protein Interactions;Chemistry – A European Journal;2021-06-25

5. Insights into interaction mechanism of inhibitors E3T, E3H and E3B with CREB binding protein by using molecular dynamics simulations and MM-GBSA calculations;SAR and QSAR in Environmental Research;2021-03-04

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线，采集、加工和组织学术论文而形成的新型学术文献查询和分析系统，可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容，当前同舟云学术共收录了国内外主流学术期刊6万余种，收集的期刊论文及会议论文总量共计约1.5亿篇，并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询！咨询电话：010-8811{复制后删除}0370

www.globalauthorid.com

TOP

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号京ICP备18003416号-3