Uni-Dock: GPU-Accelerated Docking Enables Ultralarge Virtual Screening
Author:
Affiliation:
1. Beijing DP Technology Co., Ltd., Beijing 100080, China
2. School of EECS, Peking University, Beijing 100871, China
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c01145
Reference35 articles.
1. Virtual screening—an overview
2. Hierarchical virtual screening approaches in small molecule drug discovery
3. The Light and Dark Sides of Virtual Screening: What Is There to Know?
4. Comparative Assessment of Scoring Functions on a Diverse Test Set
5. Comparative Assessment of Scoring Functions: The CASF-2016 Update
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