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2021 | 2 |
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Page 1
Macromolecular crowding impact on anti-CRISPR AcrIIC3/NmeCas9 complex: Insights from scaled particle theory, molecular dynamics, and elastic networks models.
Int J Biol Macromol. 2023 Jul 31;244:125113. doi: 10.1016/j.ijbiomac.2023.125113. Epub 2023 May 29.
Int J Biol Macromol. 2023.
PMID: 37257544
Comparative study of SARS-CoV-2 infection in different cell types: Biophysical-computational approach to the role of potential receptors.
González-Paz L, Alvarado MJ, Hurtado-León ML, Lossada C, Vera-Villalobos J, Loroño M, Paz JL, Jeffreys LN, Torres FJ, Alvarado YJ.
González-Paz L, et al. Among authors: vera villalobos j.
Comput Biol Med. 2022 Mar;142:105245. doi: 10.1016/j.compbiomed.2022.105245. Epub 2022 Jan 20.
Comput Biol Med. 2022.
PMID: 35077937
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Comparative study of the interaction of ivermectin with proteins of interest associated with SARS-CoV-2: A computational and biophysical approach.
González-Paz L, Hurtado-León ML, Lossada C, Fernández-Materán FV, Vera-Villalobos J, Loroño M, Paz JL, Jeffreys L, Alvarado YJ.
González-Paz L, et al. Among authors: vera villalobos j.
Biophys Chem. 2021 Nov;278:106677. doi: 10.1016/j.bpc.2021.106677. Epub 2021 Aug 19.
Biophys Chem. 2021.
PMID: 34428682
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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.
Alvarado YJ, Olivarez Y, Lossada C, Vera-Villalobos J, Paz JL, Vera E, Loroño M, Vivas A, Torres FJ, Jeffreys LN, Hurtado-León ML, González-Paz L.
Alvarado YJ, et al. Among authors: vera villalobos j.
Comput Biol Chem. 2022 Aug;99:107692. doi: 10.1016/j.compbiolchem.2022.107692. Epub 2022 May 14.
Comput Biol Chem. 2022.
PMID: 35640480
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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.
González-Paz L, Hurtado-León ML, Lossada C, Fernández-Materán FV, Vera-Villalobos J, Loroño M, Paz JL, Jeffreys L, Alvarado YJ.
González-Paz L, et al. Among authors: vera villalobos j.
J Mol Liq. 2021 Oct 15;340:117284. doi: 10.1016/j.molliq.2021.117284. Epub 2021 Aug 17.
J Mol Liq. 2021.
PMID: 34421159
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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.
González-Paz L, Lossada C, Hurtado-León ML, Vera-Villalobos J, Paz JL, Marrero-Ponce Y, Martinez-Rios F, Alvarado YJ.
González-Paz L, et al. Among authors: vera villalobos j.
ACS Omega. 2024 Feb 14;9(8):8923-8939. doi: 10.1021/acsomega.3c06968. eCollection 2024 Feb 27.
ACS Omega. 2024.
PMID: 38434903
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