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Table representation of search results timeline featuring number of search results per year.
Year | Number of Results |
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2018 | 1 |
2019 | 2 |
2020 | 1 |
2022 | 1 |
2023 | 1 |
2024 | 0 |
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Computational study of the binding orientation and affinity of noncovalent inhibitors of the papain-like protease (PLpro) from SARS-CoV-1 considering the protein flexibility by using molecular dynamics and cross-docking.
Front Mol Biosci. 2023 Jun 23;10:1215499. doi: 10.3389/fmolb.2023.1215499. eCollection 2023.
Front Mol Biosci. 2023.
PMID: 37426421
Free PMC article.
Testing Affordable Strategies for the Computational Study of Reactivity in Cysteine Proteases: The Case of SARS-CoV-2 3CL Protease Inhibition.
Ramos-Guzmán CA, Velázquez-Libera JL, Ruiz-Pernía JJ, Tuñón I.
Ramos-Guzmán CA, et al. Among authors: velazquez libera jl.
J Chem Theory Comput. 2022 Jun 14;18(6):4005-4013. doi: 10.1021/acs.jctc.2c00294. Epub 2022 May 13.
J Chem Theory Comput. 2022.
PMID: 35549334
Free PMC article.
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LigRMSD: a web server for automatic structure matching and RMSD calculations among identical and similar compounds in protein-ligand docking.
Velázquez-Libera JL, Durán-Verdugo F, Valdés-Jiménez A, Núñez-Vivanco G, Caballero J.
Velázquez-Libera JL, et al.
Bioinformatics. 2020 May 1;36(9):2912-2914. doi: 10.1093/bioinformatics/btaa018.
Bioinformatics. 2020.
PMID: 31926012
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Structural Requirements of N-alpha-Mercaptoacetyl Dipeptide (NAMdP) Inhibitors of Pseudomonas Aeruginosa Virulence Factor LasB: 3D-QSAR, Molecular Docking, and Interaction Fingerprint Studies.
Velázquez-Libera JL, Murillo-López JA, F de la Torre A, Caballero J.
Velázquez-Libera JL, et al.
Int J Mol Sci. 2019 Dec 5;20(24):6133. doi: 10.3390/ijms20246133.
Int J Mol Sci. 2019.
PMID: 31817391
Free PMC article.
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Docking, Interaction Fingerprint, and Three-Dimensional Quantitative Structure-Activity Relationship (3D-QSAR) of Sigma1 Receptor Ligands, Analogs of the Neuroprotective Agent RC-33.
Velázquez-Libera JL, Rossino G, Navarro-Retamal C, Collina S, Caballero J.
Velázquez-Libera JL, et al.
Front Chem. 2019 Jul 11;7:496. doi: 10.3389/fchem.2019.00496. eCollection 2019.
Front Chem. 2019.
PMID: 31355187
Free PMC article.
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Insights into the Structural Requirements of 2(S)-Amino-6-Boronohexanoic Acid Derivatives as Arginase I Inhibitors: 3D-QSAR, Docking, and Interaction Fingerprint Studies.
Velázquez-Libera JL, Navarro-Retamal C, Caballero J.
Velázquez-Libera JL, et al.
Int J Mol Sci. 2018 Sep 28;19(10):2956. doi: 10.3390/ijms19102956.
Int J Mol Sci. 2018.
PMID: 30274146
Free PMC article.
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