GoMartini 3: From large conformational changes in proteins to environmental bias corrections
P. C. T. Souza, L. P. Borges Araujo, C. Brasnett, R. A. Moreira, F. Grunewald, P. Park, L. Wang, H. Razmazma, A. C. Borges-Araujo, L. F. Cofas-Vargas, L. Monticelli, R. Mera-Adasme, M. N. Melo, S. Wu, S. J. Marrink, , S. Thallmair
This paper introduces an enhanced G[o]Martini model that improves protein dynamics simulation and addresses inaccuracies in the Martini protein model through diverse case studies.
bioRxiv · Apr 15, 2024Biophysics