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Facilitating CG simulations with MAD: the MArtini Database Server

Abstract : The MArtini Database (MAD - ) is a web server designed for the sharing structures and topologies of molecules parameterized with the Martini coarse-grained (CG) force field. MAD can also convert atomistic structures into CG structures and prepare complex systems (including proteins, lipids etc.) for molecular dynamics (MD) simulations at the CG level. It is dedicated to the generation of input files for Martini 3, the most recent version of this popular CG force field. Specifically, the MAD server currently includes tools to submit or retrieve CG models of a wide range of molecules (lipids, carbohydrates, nanoparticles, etc.), transform atomistic protein structures into CG structures and topologies, with fine control on the process and assemble biomolecules into large systems and deliver all files necessary to start simulations in the GROMACS MD engine.
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Contributor : Paulo Telles de Souza Connect in order to contact the contributor
Submitted on : Monday, November 21, 2022 - 9:44:09 PM
Last modification on : Saturday, November 26, 2022 - 3:46:15 AM

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Cécile Hilpert, Louis Beranger, Paulo C.T. Souza, Petteri Vainikka, Vincent Nieto, et al.. Facilitating CG simulations with MAD: the MArtini Database Server. {date}. ⟨hal-03864665⟩



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