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Page 1
Biological Implications of the Intrinsic Deformability of Human Acetylcholinesterase Induced by Diverse Compounds: A Computational Study.
Alvarado YJ, González-Paz L, Paz JL, Loroño-González MA, Santiago Contreras J, Lossada C, Vivas A, Marrero-Ponce Y, Martinez-Rios F, Rodriguez-Lugo P, Balladores Y, Vera-Villalobos J. Alvarado YJ, et al. Among authors: vera villalobos j. Biology (Basel). 2024 Dec 19;13(12):1065. doi: 10.3390/biology13121065. Biology (Basel). 2024. PMID: 39765732 Free PMC article.
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 Free PMC article.
Macromolecular crowding impact on anti-CRISPR AcrIIC3/NmeCas9 complex: Insights from scaled particle theory, molecular dynamics, and elastic networks models.
Delgado A, Vera-Villalobos J, Paz JL, Lossada C, Hurtado-León ML, Marrero-Ponce Y, Toro-Mendoza J, Alvarado YJ, González-Paz L. Delgado A, et al. Among authors: vera villalobos j. 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
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 Free PMC article.
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 Free PMC article.
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 Free PMC article.
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 Free PMC article.