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An implementation of the Martini coarse-grained force field in OpenMM.
MacCallum JL, Hu S, Lenz S, Souza PCT, Corradi V, Tieleman DP. MacCallum JL, et al. Among authors: souza pct. Biophys J. 2023 Jul 25;122(14):2864-2870. doi: 10.1016/j.bpj.2023.04.007. Epub 2023 Apr 11. Biophys J. 2023. PMID: 37050876 Free PMC article.
Assessing the Martini 3 protein model: A review of its path and potential.
Borges-Araújo L, Pereira GP, Valério M, Souza PCT. Borges-Araújo L, et al. Among authors: souza pct. Biochim Biophys Acta Proteins Proteom. 2024 Jul 1;1872(4):141014. doi: 10.1016/j.bbapap.2024.141014. Epub 2024 Apr 25. Biochim Biophys Acta Proteins Proteom. 2024. PMID: 38670324 Review.
Bartender: Martini 3 Bonded Terms via Quantum Mechanics-Based Molecular Dynamics.
Pereira GP, Alessandri R, Domínguez M, Araya-Osorio R, Grünewald L, Borges-Araújo L, Wu S, Marrink SJ, Souza PCT, Mera-Adasme R. Pereira GP, et al. Among authors: souza pct. J Chem Theory Comput. 2024 Jul 9;20(13):5763-5773. doi: 10.1021/acs.jctc.4c00275. Epub 2024 Jun 26. J Chem Theory Comput. 2024. PMID: 38924075
54 results