Quantum Mechanics in Structure-Based Ligand Design
Author:
Publisher
Wiley-VCH Verlag GmbH & Co. KGaA
Reference153 articles.
1. Approaches to the description and prediction of the binding affinity of small-molecule ligands to macromolecular receptors;Gohlke;Angewandte Chemie International Edition,2002
2. How accurate can a force field become? A polarizable multipole model combined with fragment-wise quantum-mechanical calculations;Söderhjelm;Journal of Physical Chemistry A,2009
3. Quantum mechanics in structure-based drug design;Peters;Current Opinion in Drug Discovery & Development,2006
4. Target-related applications of first principles quantum chemical methods in drug design;Cavalli;Chemical Reviews,2006
Cited by 5 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. Converging ligand‐binding free energies obtained with free‐energy perturbations at the quantum mechanical level;Journal of Computational Chemistry;2016-04-27
2. Ligand-Binding Affinity Estimates Supported by Quantum-Mechanical Methods;Chemical Reviews;2016-04-14
3. Binding affinities by alchemical perturbation using QM/MM with a large QM system and polarizable MM model;Journal of Computational Chemistry;2015-08-17
4. CCD MEASUREMENTS OF DOUBLE AND MULTIPLE STARS AT NAO ROZHEN AND ASV IN 2012. FOUR LINEAR SOLUTIONS;The Astronomical Journal;2015-04-14
5. The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities;Expert Opinion on Drug Discovery;2015-04-02
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