Conformational Sampling of Druglike Molecules with MOE and Catalyst: Implications for Pharmacophore Modeling and Virtual Screening
Author:
Affiliation:
1. Vernalis (R&D) Ltd., Granta Park, Abington, Cambridge CB21 6GB, U.K.
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/ci800130k
Reference51 articles.
1. A genetic algorithm for flexible molecular overlay and pharmacophore elucidation
2. FlexS: A Method for Fast Flexible Ligand Superposition
3. Flexible Alignment of Small Molecules
4. Chemical Function Queries for 3D Database Search
5. Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
Cited by 101 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. Biochemical interaction of twenty steroid derivatives with ribosomal protein kinase 4 S6 (RSK-4) surface using a theoretical model;Brazilian Journal of Science;2024-02-01
2. Fluorescent histidine-derived biodynamers as biocompatible and highly water-soluble copper(ii)-sensors;RSC Applied Polymers;2024
3. Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory;Journal of Computer-Aided Molecular Design;2023-08-19
4. Recent Advances in Toxicity Prediction: Applications of Deep Graph Learning;Chemical Research in Toxicology;2023-08-10
5. Structure-based pharmacophore modeling 1. Automated random pharmacophore model generation;Journal of Molecular Graphics and Modelling;2023-06
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