Improving Docking-Based Virtual Screening Ability by Integrating Multiple Energy Auxiliary Terms from Molecular Docking Scoring-Reference-Cited by-同舟云学术

Improving Docking-Based Virtual Screening Ability by Integrating Multiple Energy Auxiliary Terms from Molecular Docking Scoring

Published:2020-04-30 Issue:9 Volume:60 Page:4216-4230
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Ye Wen-Ling¹,Shen Chao²,Xiong Guo-Li¹,Ding Jun-Jie³,Lu Ai-Ping⁴,Hou Ting-Jun²,Cao Dong-Sheng¹⁴^ORCID

Affiliation:

1. Xiangya School of Pharmaceutical Sciences, Central South University, Changsha 410003, P. R. China

2. Hangzhou Institute of Innovative Medicine, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, P. R. China

3. Beijing Institute of Pharmaceutical Chemistry, Beijing 102205, P. R. China

4. Institute for Advancing Translational Medicine in Bone & Joint Diseases, School of Chinese Medicine, Hong Kong Baptist University, Hong Kong SAR, P. R. China

Funder

Ministry of Science and Technology of the People's Republic of China

Hong Kong Baptist University

National Natural Science Foundation of China

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/acs.jcim.9b00977

Reference71 articles.

1. A review of high throughput technology for the screening of natural products

2. Drug discovery in pharmaceutical industry: productivity challenges and trends

3. Ligand Docking and Structure-based Virtual Screening in Drug Discovery

4. How far can virtual screening take us in drug discovery?

5. Combined strategies in structure-based virtual screening

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