Docking optimization, variance and promiscuity for large-scale drug-like chemical space using high performance computing architectures-Reference-Cited by-同舟云学术

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Docking optimization, variance and promiscuity for large-scale drug-like chemical space using high performance computing architectures

Published:2016-10 Issue:10 Volume:21 Page:1672-1680
ISSN:1359-6446
Container-title:Drug Discovery Today
language:en
Short-container-title:Drug Discovery Today

Author:

Trager Richard E.,Giblock Paul,Soltani Sherwin,Upadhyay Amit A.,Rekapalli Bhanu,Peterson Yuri K.

Funder

NICS

NSF

American Cancer Society

Hollings Cancer Center, Medical University of South Carolina

MUSC

Publisher

Elsevier BV

Subject

Drug Discovery,Pharmacology

Reference84 articles.

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4. ZINC – a free database of commercially available compounds for virtual screening;Irwin;J. Chem. Inf. Model.,2005

5. The chemist as astronaut: searching for biologically useful space in the chemical universe;Triggle;Biochem. Pharmacol.,2009

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1. Scalable HPC & AI infrastructure for COVID-19 therapeutics;Proceedings of the Platform for Advanced Scientific Computing Conference;2021-07-05

2. Docking Paradigm in Drug Design;Current Topics in Medicinal Chemistry;2021-03

3. The latest automated docking technologies for novel drug discovery;Expert Opinion on Drug Discovery;2020-12-23

4. Bacterial Polyphosphate Kinases Revisited: Role in Pathogenesis and Therapeutic Potential;Current Drug Targets;2019-01-25

5. Docking Studies on Novel Analogues of 8-Chloro-Quinolones against Staphylococcus aureus;Molecular Docking;2018-07-11

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