Comprehensive evaluation of ten docking programs on a diverse set of protein–ligand complexes: the prediction accuracy of sampling power and scoring power

Author:

Wang Zhe1234,Sun Huiyong1234,Yao Xiaojun56784,Li Dan1234,Xu Lei91011124,Li Youyong1314154,Tian Sheng1314154,Hou Tingjun123416

Affiliation:

1. College of Pharmaceutical Sciences

2. Zhejiang University

3. Hangzhou

4. China

5. State Key Laboratory of Quality Research in Chinese Medicine

6. Macau Institute For Applied Research in Medicine and Health

7. Macau University of Science and Technology

8. Taipa

9. Institute of Bioinformatics and Medical Engineering

10. School of Electrical and Information Engineering

11. Jiangsu University of Technology

12. Changzhou 213001

13. Institute of Functional Nano and Soft Materials (FUNSOM)

14. Soochow University

15. Suzhou

16. State Key Lab of CAD&CG

Abstract

We evaluated the capabilities of ten molecular docking programs to predict the ligand binding poses (sampling power) and rank the binding affinities (scoring power).

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

全球学者库

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

"全球学者库"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,当前全球学者库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 © 2019-2023 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