José Luis Velázquez-Libera - Search Results

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Year	Number of Results
2018	1
2019	2
2020	1
2022	1

Page 1

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

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.

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.

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.

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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