Inclusion of enclosed hydration effects in the binding free energy estimation of dopamine D3 receptor complexes
Author:
Funder
National Science Foundation
National Institutes of Health
Publisher
Public Library of Science (PLoS)
Subject
Multidisciplinary
Reference68 articles.
1. The Role of Water Molecules in Computational Drug Design;S de Beer;Curr Top Med Chem,2010
2. Water at biomolecular binding interfaces;Z Li;Phys Chem Chem Phys,2007
3. Molecular modeling of hydration in drug design;RL Mancera;Curr Opin Drug Discov Devel,2007
4. Water as an Active Constituent in Cell Biology;P Ball;Chem Rev,2008
5. Just add water! The effect of water on the specificity of protein-ligand binding sites and its potential application to drug design;JE Ladbury;Chem Biol,1996
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. Insights into the terahertz response of l-glutamic acid and its receptor;The Analyst;2024
2. Fluoroalkoxylated C-3 and C-9 (S)-12-bromostepholidine analogues with D1R antagonist activity;Bioorganic Chemistry;2023-12
3. Discovery of Selective Dopamine Receptor Ligands Derived from (−)-Stepholidine via C-3 Alkoxylation and C-3/C-9 Dialkoxylation;Journal of Medicinal Chemistry;2023-07-08
4. New tetrahydroisoquinoline-based D3R ligands with an o-xylenyl linker motif;Bioorganic & Medicinal Chemistry Letters;2021-06
5. Alchemical Transfer Approach to Absolute Binding Free Energy Estimation;Journal of Chemical Theory and Computation;2021-05-13
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