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OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials.
Eastman P, Galvelis R, Peláez RP, Abreu CRA, Farr SE, Gallicchio E, Gorenko A, Henry MM, Hu F, Huang J, Krämer A, Michel J, Mitchell JA, Pande VS, Rodrigues JP, Rodriguez-Guerra J, Simmonett AC, Singh S, Swails J, Turner P, Wang Y, Zhang I, Chodera JD, De Fabritiis G, Markland TE. Eastman P, et al. Among authors: de fabritiis g. J Phys Chem B. 2024 Jan 11;128(1):109-116. doi: 10.1021/acs.jpcb.3c06662. Epub 2023 Dec 28. J Phys Chem B. 2024. PMID: 38154096 Free PMC article.
Membrane lipids are key modulators of the endocannabinoid-hydrolase FAAH.
Dainese E, De Fabritiis G, Sabatucci A, Oddi S, Angelucci CB, Di Pancrazio C, Giorgino T, Stanley N, Del Carlo M, Cravatt BF, Maccarrone M. Dainese E, et al. Among authors: de fabritiis g. Biochem J. 2014 Feb 1;457(3):463-72. doi: 10.1042/BJ20130960. Biochem J. 2014. PMID: 24215562
Emergence of Multiple EGFR Extracellular Mutations during Cetuximab Treatment in Colorectal Cancer.
Arena S, Bellosillo B, Siravegna G, Martínez A, Cañadas I, Lazzari L, Ferruz N, Russo M, Misale S, González I, Iglesias M, Gavilan E, Corti G, Hobor S, Crisafulli G, Salido M, Sánchez J, Dalmases A, Bellmunt J, De Fabritiis G, Rovira A, Di Nicolantonio F, Albanell J, Bardelli A, Montagut C. Arena S, et al. Among authors: de fabritiis g. Clin Cancer Res. 2015 May 1;21(9):2157-66. doi: 10.1158/1078-0432.CCR-14-2821. Epub 2015 Jan 26. Clin Cancer Res. 2015. PMID: 25623215 Free article.
The Virtual Physiological Human ToolKit.
Cooper J, Cervenansky F, De Fabritiis G, Fenner J, Friboulet D, Giorgino T, Manos S, Martelli Y, Villà-Freixa J, Zasada S, Lloyd S, McCormack K, Coveney PV. Cooper J, et al. Among authors: de fabritiis g. Philos Trans A Math Phys Eng Sci. 2010 Aug 28;368(1925):3925-36. doi: 10.1098/rsta.2010.0144. Philos Trans A Math Phys Eng Sci. 2010. PMID: 20643685
111 results