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Computational insight into the interaction of oxaliplatin with insulin.
Sciortino G, Sánchez-Aparicio JE, Rodríguez-Guerra Pedregal J, Garribba E, Maréchal JD. Sciortino G, et al. Among authors: rodriguez guerra pedregal j. Metallomics. 2019 Apr 17;11(4):765-773. doi: 10.1039/c8mt00341f. Metallomics. 2019. PMID: 30724953
GaudiMM: A modular multi-objective platform for molecular modeling.
Rodríguez-Guerra Pedregal J, Sciortino G, Guasp J, Municoy M, Maréchal JD. Rodríguez-Guerra Pedregal J, et al. J Comput Chem. 2017 Sep 15;38(24):2118-2126. doi: 10.1002/jcc.24847. Epub 2017 Jun 12. J Comput Chem. 2017. PMID: 28605037
Theoretical Study of Radical Inactivation, LOX Inhibition, and Iron Chelation: The Role of Ferulic Acid in Skin Protection against UVA Induced Oxidative Stress.
Amić A, Dimitrić Marković JM, Marković Z, Milenković D, Milanović Ž, Antonijević M, Mastiľák Cagardová D, Rodríguez-Guerra Pedregal J. Amić A, et al. Among authors: rodriguez guerra pedregal j. Antioxidants (Basel). 2021 Aug 18;10(8):1303. doi: 10.3390/antiox10081303. Antioxidants (Basel). 2021. PMID: 34439551 Free PMC article.
GARLEEK: Adding an extra flavor to ONIOM.
Pedregal JR, Funes-Ardoiz I, Sciortino G, Sánchez-Aparicio JE, Ujaque G, Lledós A, Maréchal JD, Maseras F. Pedregal JR, et al. J Comput Chem. 2019 Jan 15;40(2):381-386. doi: 10.1002/jcc.25612. Epub 2018 Nov 21. J Comput Chem. 2019. PMID: 30462350
12 results