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Exploring the Non-Covalent Bonding in Water Clusters.
Int J Mol Sci. 2023 Mar 9;24(6):5271. doi: 10.3390/ijms24065271.
Int J Mol Sci. 2023.
PMID: 36982342
Free PMC article.
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: torres fj.
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.
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