The SIRAH force field: A suite for simulations of complex biological systems at the coarse-grained and multiscale levels
Florencia Klein, Martín Sóñora, Lucianna Helene Santos, Ezequiel N. Frigini, Andrés Ballesteros‐Casallas, Matías Machado, Sergio Pantano
Topics & Concepts
Force field (fiction)Computer scienceMolecular dynamicsPortingSpeedupIntermolecular forcePairwise comparisonField (mathematics)SoftwareComputational scienceComputational chemistryArtificial intelligencePhysicsChemistryMoleculeParallel computingMathematicsProgramming languagePure mathematicsQuantum mechanicsProtein Structure and DynamicsEnzyme Structure and FunctionNanopore and Nanochannel Transport Studies