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1.
Structural deformability induced in proteins of potential interest associated with COVID-19 by binding of homologues present in ivermectin: Comparative study based in elastic networks models.
J Mol Liq
; 340: 117284, 2021 Oct 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-34421159
2.
Biophysical Analysis of Potential Inhibitors of SARS-CoV-2 Cell Recognition and Their Effect on Viral Dynamics in Different Cell Types: A Computational Prediction from In Vitro Experimental Data.
ACS Omega
; 9(8): 8923-8939, 2024 Feb 27.
Artículo
en Inglés
| MEDLINE | ID: mdl-38434903
3.
Intrinsic Dynamics of the ClpXP Proteolytic Machine Using Elastic Network Models.
ACS Omega
; 8(8): 7302-7318, 2023 Feb 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-36873006
4.
Macromolecular crowding impact on anti-CRISPR AcrIIC3/NmeCas9 complex: Insights from scaled particle theory, molecular dynamics, and elastic networks models.
Int J Biol Macromol
; 244: 125113, 2023 Jul 31.
Artículo
en Inglés
| MEDLINE | ID: mdl-37257544
5.
Interaction of the new inhibitor paxlovid (PF-07321332) and ivermectin with the monomer of the main protease SARS-CoV-2: A volumetric study based on molecular dynamics, elastic networks, classical thermodynamics and SPT.
Comput Biol Chem
; 99: 107692, 2022 Aug.
Artículo
en Inglés
| MEDLINE | ID: mdl-35640480
6.
Comparative study of SARS-CoV-2 infection in different cell types: Biophysical-computational approach to the role of potential receptors.
Comput Biol Med
; 142: 105245, 2022 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-35077937
7.
Comparative study of the interaction of ivermectin with proteins of interest associated with SARS-CoV-2: A computational and biophysical approach.
Biophys Chem
; 278: 106677, 2021 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-34428682
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