Gaussian accelerated molecular dynamics for elucidation of drug pathways
Author:
Affiliation:
1. Center for Computational Biology and Department of Molecular Biosciences, University of Kansas, Lawrence, KS, USA
Funder
American Heart Association
Publisher
Informa UK Limited
Subject
Drug Discovery
Link
https://www.tandfonline.com/doi/pdf/10.1080/17460441.2018.1538207
Reference80 articles.
1. Structure of human cyclophilin and its binding site for cyclosporin A determined by X-ray crystallography and NMR spectroscopy
2. New Insights for Drug Design from the X-Ray Crystallographic Structures of G-Protein-Coupled Receptors
3. Natural product (−)-gossypol inhibits colon cancer cell growth by targeting RNA-binding protein Musashi-1
4. Role of the Second Extracellular Loop of the Adenosine A1 Receptor on Allosteric Modulator Binding, Signaling, and Cooperativity
Cited by 43 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. METALLOPROTEIN PARAMETERS IN MOLECULAR DYNAMICS SIMULATION FOR AMBER, CHARMM, GROMACS, AND NAMD: A SYSTEMATIC REVIEW;International Journal of Applied Pharmaceutics;2024-09-07
2. Architecture of the ATP-driven motor for protein import into chloroplasts;2024-09-03
3. Multiple Parameter Replica Exchange Gaussian Accelerated Molecular Dynamics for Enhanced Sampling and Free Energy Calculation of Biomolecular Systems;Journal of Chemical Theory and Computation;2024-07-31
4. A Chronicle Review of In-Silico Approaches for Discovering Novel Antimicrobial Agents to Combat Antimicrobial Resistance;Indian Journal of Microbiology;2024-07-22
5. Molecular dynamics-based identification of binding pathways and two distinct high-affinity sites for succinate in succinate receptor 1/GPR91;Molecular Cell;2024-03
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