WATsite: Hydration site prediction program with PyMOL interface
Author:
Affiliation:
1. Department of Medicinal Chemistry and Molecular Pharmacology; College of Pharmacy, Purdue University; 575 Stadium Mall Drive West Lafayette Indiana 47906
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.23616/fullpdf
Reference30 articles.
1. Lead discovery using molecular docking
2. Protein-ligand docking: Current status and future challenges
3. Just add water! The effect of water on the specificity of protein-ligand binding sites and its potential application to drug design
4. A computational procedure for determining energetically favorable binding sites on biologically important macromolecules
5. Modelling of solvent positions around polar groups in proteins
Cited by 63 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. Activity profiling of natural and synthetic SARS-Cov-2 inhibitors using molecular docking analysis;Pure and Applied Chemistry;2024-04-23
3. HydraProt: A New Deep Learning Tool for Fast and Accurate Prediction of Water Molecule Positions for Protein Structures;Journal of Chemical Information and Modeling;2024-03-29
4. Water position prediction with SE(3)-Graph Neural Network;2024-03-28
5. Structural and thermodynamic properties of conserved water molecules in Mpro native: A combined approach by MD simulation and Grid Inhomogeneous Solvation Theory;Proteins: Structure, Function, and Bioinformatics;2024-01-11
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