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SARS-CoV-2 Main Protease: A Molecular Dynamic Study

Authors :
Natalia Díaz
Dimas Suárez
Publication Year :
2020
Publisher :
American Chemical Society (ACS), 2020.

Abstract

We provide results from a molecular dynamics simulation of the SARS-CoV-2 main protease in the monomer and dimer states of the native enzyme and also bound to a peptide substrate.

Subjects

Subjects :
chemistry.chemical_classification
Protease
Coronavirus disease 2019 (COVID-19)
Stereochemistry
Dimer
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)
medicine.medical_treatment
Peptide substrate
Molecular dynamics
chemistry.chemical_compound
Monomer
Enzyme
chemistry
medicine

Details

Database :
OpenAIRE
Accession number :
edsair.doi...........4d4ac4166a078cf9c6891ad3c1458b8f
Full Text :
https://doi.org/10.26434/chemrxiv.12366584.v1
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