Testing Affordable Strategies for the Computational Study of Reactivity in Cysteine Proteases: The Case of SARS-CoV-2 3CL Protease Inhibition-Reference-Cited by-同舟云学术

Testing Affordable Strategies for the Computational Study of Reactivity in Cysteine Proteases: The Case of SARS-CoV-2 3CL Protease Inhibition

Published:2022-05-13 Issue:6 Volume:18 Page:4005-4013
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Ramos-Guzmán Carlos A.¹,Velázquez-Libera José Luis¹²^ORCID,Ruiz-Pernía J. Javier¹^ORCID,Tuñón Iñaki¹^ORCID

Affiliation:

1. Departamento de Química Física, Universitat de Valencia, Burjassot, Valencia 46100, Spain

2. Departamento de Bioinformática, Facultad de Ingeniería, Centro de Bioinformática, Simulación y Modelado (CBSM), Universidad de Talca, Talca 3460000, Chile

Funder

Generalitat Valenciana

Ministerio de Ciencia e Innovaci?n

European Regional Development Fund

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00294

Reference51 articles.

1. Intracellular hydrolases of Aspergillus, parasiticus and Aspergillus, flavus

2. A membrane-bound, calcium-dependent protease in yeast α-cell cleaving on the carboxyl side of paired basic residues

3. EMERGING ROLES FOR CYSTEINE PROTEASES IN HUMAN BIOLOGY

4. Emerging Roles of Cysteine Cathepsins in Disease and their Potential as Drug Targets

5. Chapter 2 Cysteine proteinases

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