AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2

Autor:	Rajendra P. Joshi, Katherine J. Schultz, Jesse William Wilson, Agustin Kruel, Rohith Anand Varikoti, Chathuri J. Kombala, Daniel W. Kneller, Stephanie Galanie, Gwyndalyn Phillips, Qiu Zhang, Leighton Coates, Jyothi Parvathareddy, Surekha Surendranathan, Ying Kong, Austin Clyde, Arvind Ramanathan, Colleen B. Jonsson, Kristoffer R. Brandvold, Mowei Zhou, Martha S. Head, Andrey Kovalevsky, Neeraj Kumar
Rok vydání:	2023
Předmět:	General Chemical Engineering General Chemistry Library and Information Sciences Computer Science Applications
Zdroj:	Journal of Chemical Information and Modeling. 63:1438-1453
ISSN:	1549-960X 1549-9596
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::c8b5e736d5985806e92c7e6b4e3d02b5 https://doi.org/10.1021/acs.jcim.2c01377 Zobrazit plný text záznamu