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High-Throughput Prediction of the Impact of Genetic Variability on Drug Sensitivity and Resistance Patterns for Clinically Relevant Epidermal Growth Factor Receptor Mutations from Atomistic Simulations.
Suriñach A, Hospital A, Westermaier Y, Jordà L, Orozco-Ruiz S, Beltrán D, Colizzi F, Andrio P, Soliva R, Municoy M, Gelpí JL, Orozco M. Suriñach A, et al. Among authors: municoy m. J Chem Inf Model. 2023 Jan 9;63(1):321-334. doi: 10.1021/acs.jcim.2c01344. Epub 2022 Dec 28. J Chem Inf Model. 2023. PMID: 36576351
Selective inhibitors of the PSEN1-gamma-secretase complex.
Serneels L, Narlawar R, Perez-Benito L, Municoy M, Guallar V, T'Syen D, Dewilde M, Bischoff F, Fraiponts E, Tresadern G, Roevens PWM, Gijsen HJM, De Strooper B. Serneels L, et al. Among authors: municoy m. J Biol Chem. 2023 Jun;299(6):104794. doi: 10.1016/j.jbc.2023.104794. Epub 2023 May 9. J Biol Chem. 2023. PMID: 37164155 Free PMC article.
Pre-exascale HPC approaches for molecular dynamics simulations. Covid-19 research: A use case.
Wieczór M, Genna V, Aranda J, Badia RM, Gelpí JL, Gapsys V, de Groot BL, Lindahl E, Municoy M, Hospital A, Orozco M. Wieczór M, et al. Among authors: municoy m. Wiley Interdiscip Rev Comput Mol Sci. 2022 May 30:e1622. doi: 10.1002/wcms.1622. Online ahead of print. Wiley Interdiscip Rev Comput Mol Sci. 2022. PMID: 35935573 Free PMC article.
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. Among authors: municoy m. 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