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Overlay databank unlocks data-driven analyses of biomolecules for all.
Kiirikki AM, Antila HS, Bort LS, Buslaev P, Favela-Rosales F, Ferreira TM, Fuchs PFJ, Garcia-Fandino R, Gushchin I, Kav B, Kučerka N, Kula P, Kurki M, Kuzmin A, Lalitha A, Lolicato F, Madsen JJ, Miettinen MS, Mingham C, Monticelli L, Nencini R, Nesterenko AM, Piggot TJ, Piñeiro Á, Reuter N, Samantray S, Suárez-Lestón F, Talandashti R, Ollila OHS. Kiirikki AM, et al. Among authors: buslaev p. Nat Commun. 2024 Feb 7;15(1):1136. doi: 10.1038/s41467-024-45189-z. Nat Commun. 2024. PMID: 38326316 Free PMC article.
gmXtal: Cooking Crystals with GROMACS.
Buslaev P, Groenhof G. Buslaev P, et al. Protein J. 2024 Apr;43(2):200-206. doi: 10.1007/s10930-023-10141-5. Epub 2023 Aug 25. Protein J. 2024. PMID: 37620609 Free PMC article.
Scalable Constant pH Molecular Dynamics in GROMACS.
Aho N, Buslaev P, Jansen A, Bauer P, Groenhof G, Hess B. Aho N, et al. Among authors: buslaev p. J Chem Theory Comput. 2022 Oct 11;18(10):6148-6160. doi: 10.1021/acs.jctc.2c00516. Epub 2022 Sep 21. J Chem Theory Comput. 2022. PMID: 36128977 Free PMC article.
Inverse Conformational Selection in Lipid-Protein Binding.
Bacle A, Buslaev P, Garcia-Fandino R, Favela-Rosales F, Mendes Ferreira T, Fuchs PFJ, Gushchin I, Javanainen M, Kiirikki AM, Madsen JJ, Melcr J, Milán Rodríguez P, Miettinen MS, Ollila OHS, Papadopoulos CG, Peón A, Piggot TJ, Piñeiro Á, Virtanen SI. Bacle A, et al. Among authors: buslaev p. J Am Chem Soc. 2021 Sep 1;143(34):13701-13709. doi: 10.1021/jacs.1c05549. Epub 2021 Aug 16. J Am Chem Soc. 2021. PMID: 34465095 Free article.
17 results