A Cloud Computing Platform for Scalable Relative and Absolute Binding Free Energy Predictions: New Opportunities and Challenges for Drug Discovery-Reference-Cited by-同舟云学术

A Cloud Computing Platform for Scalable Relative and Absolute Binding Free Energy Predictions: New Opportunities and Challenges for Drug Discovery

Published:2021-06-04 Issue:6 Volume:61 Page:2720-2732
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Lin Zhixiong¹,Zou Junjie¹,Liu Shuai¹²,Peng Chunwang¹,Li Zhipeng¹,Wan Xiao¹,Fang Dong¹,Yin Jian¹,Gobbo Gianpaolo²^ORCID,Chen Yongpan¹,Ma Jian¹,Wen Shuhao¹²,Zhang Peiyu¹,Yang Mingjun¹^ORCID

Affiliation:

1. Shenzhen Jingtai Technology Co., Ltd. (XtalPi), Floor 3, Sf Industrial Plant, No. 2 Hongliu Road, Fubao Community, Fubao Street, Futian District, Shenzhen 518045, China

2. XtalPi Inc., 245 Main Street, Cambridge, Massachusetts 02142, United States

Funder

Shenzhen Special Fund for the Development of Strategic Emerging Industries

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.0c01329

Reference79 articles.

1. How to improve R&D productivity: the pharmaceutical industry's grand challenge

2. Lessons learned from the fate of AstraZeneca's drug pipeline: a five-dimensional framework