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Best Practices in Constant pH MD Simulations: Accuracy and Sampling.
Buslaev P, Aho N, Jansen A, Bauer P, Hess B, Groenhof G. Buslaev P, et al. Among authors: aho n. J Chem Theory Comput. 2022 Oct 11;18(10):6134-6147. doi: 10.1021/acs.jctc.2c00517. Epub 2022 Sep 15. J Chem Theory Comput. 2022. PMID: 36107791 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. 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.
NTHL1 is a recessive cancer susceptibility gene.
Nurmi AK, Pelttari LM, Kiiski JI, Khan S, Nurmikolu M, Suvanto M, Aho N, Tasmuth T, Kalso E, Schleutker J, Kallioniemi A, Heikkilä P; FinnGen; Aittomäki K, Blomqvist C, Nevanlinna H. Nurmi AK, et al. Among authors: aho n. Sci Rep. 2023 Nov 30;13(1):21127. doi: 10.1038/s41598-023-47441-w. Sci Rep. 2023. PMID: 38036545 Free PMC article.
22 results