GoMartini 3: From large conformational changes in proteins to environmental bias corrections
Paulo C. T. Souza, Luís Borges-Araújo, Christopher Brasnett, Rodrigo A. Moreira, Fabian Grünewald, Peter Park, Liguo Wang, Hafez Razmazma, Ana C. Borges-Araújo, Luis Fernando Cofas‐Vargas, Luca Monticelli, Raúl Mera‐Adasme, Manuel N. Melo, Sangwook Wu, Siewert J. Marrink, , Sebastian 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.
Nature Communications · Apr 30, 2025Peer-reviewedBiophysics