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Parmbsc1: a refined force field for DNA simulations.
Ivani I, Dans PD, Noy A, Pérez A, Faustino I, Hospital A, Walther J, Andrio P, Goñi R, Balaceanu A, Portella G, Battistini F, Gelpí JL, González C, Vendruscolo M, Laughton CA, Harris SA, Case DA, Orozco M. Ivani I, et al. Among authors: andrio p. Nat Methods. 2016 Jan;13(1):55-8. doi: 10.1038/nmeth.3658. Epub 2015 Nov 16. Nat Methods. 2016. PMID: 26569599 Free PMC article.
SEABED: Small molEcule activity scanner weB servicE baseD.
Fenollosa C, Otón M, Andrio P, Cortés J, Orozco M, Goñi JR. Fenollosa C, et al. Among authors: andrio p. Bioinformatics. 2015 Mar 1;31(5):773-5. doi: 10.1093/bioinformatics/btu709. Epub 2014 Oct 27. Bioinformatics. 2015. PMID: 25348211 Free PMC article.
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: andrio p. 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