Symmetry-Adapted Restraints for Binding Free Energy Calculations-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Symmetry-Adapted Restraints for Binding Free Energy Calculations

Published:2022-03-01 Issue:4 Volume:18 Page:2494-2502
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Ebrahimi Mina¹²³^ORCID,Hénin Jérôme²³^ORCID

Affiliation:

1. Department of Physical Chemistry, School of Chemistry, College of Science, University of Tehran, Tehran 1417935840, Iran

2. CNRS, Université de Paris, UPR 9080, Laboratoire de Biochimie Théorique, Paris 75005, France

3. Institut de Biologie Physico-Chimique, Fondation Edmond de Rothschild, PSL Research University, Paris 75005, France

Funder

Agence Nationale de la Recherche

Laboratoire International Associ? CNRS/UIUC

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c01235

Reference46 articles.

1. Rigorous Free Energy Simulations in Virtual Screening

2. Computational Alchemy

3. Free energy calculations: Applications to chemical and biochemical phenomena

4. Good Practices in Free-Energy Calculations

5. Alchemical free energy methods for drug discovery: progress and challenges

Cited by 9 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. Design and evaluation of piperidine carboxamide derivatives as potent ALK inhibitors through 3D-QSAR modeling, artificial neural network and computational analysis;Arabian Journal of Chemistry;2024-09

2. BAT2: an Open-Source Tool for Flexible, Automated, and Low Cost Absolute Binding Free Energy Calculations;Journal of Chemical Theory and Computation;2024-08-01

3. Lambda-ABF: Simplified, Portable, Accurate, and Cost-Effective Alchemical Free-Energy Computation;Journal of Chemical Theory and Computation;2024-05-28

4. Free Energy Estimation for Drug Discovery: Background and Perspectives;Applied Computer-Aided Drug Design: Models and Methods;2023-12-07

5. Alchemical Free Energy Calculations on Membrane-Associated Proteins;Journal of Chemical Theory and Computation;2023-10-30

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