Gaussian Accelerated Molecular Dynamics in OpenMM.
Copeland MM, Do HN, Votapka L, Joshi K, Wang J, Amaro RE, Miao Y.
Copeland MM, et al. Among authors: do hn.
J Phys Chem B. 2022 Aug 11;126(31):5810-5820. doi: 10.1021/acs.jpcb.2c03765. Epub 2022 Jul 27.
J Phys Chem B. 2022.
PMID: 35895977
Free PMC article.