Open AccessStructure-Based Virtual Screening, Docking, ADMET, Molecular Dynamics, and MM-PBSA Calculations for the Discovery of Potential Natural SARS-CoV-2 Helicase Inhibitors from the Traditional Chinese Medicine
Author(s) -
Ahmed M. Metwaly,
Alaa Elwan,
Abdul-Aziz M.M. El-Attar,
Sara T. AlRashood,
Ibrahim H. Eissa
Publication year - 2022
Publication title -
journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.436
H-Index - 50
eISSN - 2090-9071
pISSN - 2090-9063
DOI - 10.1155/2022/7270094
Subject(s) - chemistry , docking (animal) , stereochemistry , virtual screening , in silico , acetic acid , protein data bank (rcsb pdb) , helicase , molecular dynamics , adme , autodock , computational chemistry , organic chemistry , biochemistry , in vitro , gene , medicine , rna , nursing
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom