Evaluating Free Energies of Binding and Conservation of Crystallographic Waters Using SZMAP
Author:
Affiliation:
1. Oncology and Infection Innovative Medicines Units, AstraZeneca R&D Boston, 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ci500746d
Reference74 articles.
1. SZMAP, 1.0.0;OpenEye Scientific Software Inc.:Santa Fe, NM, USA, 2011.
2. Epistructural Tension Promotes Protein Associations
3. Detection of Long-lived Bound Water Molecules in Complexes of Human Dihydrofolate Reductase with Methotrexate and NADPH
4. A computational procedure for determining energetically favorable binding sites on biologically important macromolecules
5. Functionality maps of binding sites: A multiple copy simultaneous search method
Cited by 65 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. Enthalpic Classification of Water Molecules in Target–Ligand Binding;Journal of Chemical Information and Modeling;2024-08-13
2. DOX_BDW: Incorporating Solvation and Desolvation Effects of Cavity Water into Nonfitting Protein–Ligand Binding Affinity Prediction;Journal of Chemical Information and Modeling;2023-08-04
3. The Advances and Limitations of the Determination and Applications of Water Structure in Molecular Engineering;International Journal of Molecular Sciences;2023-07-22
4. HydraMap v.2: Prediction of Hydration Sites and Desolvation Energy with Refined Statistical Potentials;Journal of Chemical Information and Modeling;2023-07-11
5. WaterKit: Thermodynamic Profiling of Protein Hydration Sites;Journal of Chemical Theory and Computation;2023-04-24
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