Importance of glutamine 189 flexibility in SARS-CoV-2 main protease: Lesson learned from in silico virtual screening of ChEMBL database and molecular dynamics-Reference-Cited by-同舟云学术

Importance of glutamine 189 flexibility in SARS-CoV-2 main protease: Lesson learned from in silico virtual screening of ChEMBL database and molecular dynamics

Published:2021-05 Issue: Volume:160 Page:105744
ISSN:0928-0987
Container-title:European Journal of Pharmaceutical Sciences
language:en
Short-container-title:European Journal of Pharmaceutical Sciences

Author:

Said Mohamed A.,Albohy Amgad^ORCID,Abdelrahman Mohamed A^ORCID,Ibrahim Hany S.^ORCID

Publisher

Elsevier BV

Subject

Pharmaceutical Science

Reference47 articles.

1. GROMACS: high performance molecular simulations through multi-level parallelism from laptops to supercomputers;Abraham;Softw.X,2015

2. The proximal origin of SARS-CoV-2;Andersen;Nat. Med.,2020

3. The feeding value of chicory (Cichorium intybus) for ruminant livestock;Barry;J. Agric. Sci.,1998

4. Canonical sampling through velocity rescaling;Bussi;J. Chem. Phys.,2007

5. Genomic variance of the 2019-nCoV coronavirus;Ceraolo;J. Med. Virol.,2020

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