Extension of the Unres Package for Physics-Based Coarse-Grained Simulations of Proteins and Protein Complexes to Very Large Systems
Adam K. Sieradzan, Cezary Czaplewski, Emilia A. Lubecka, Agnieszka G. Lipska, Agnieszka Karczyńska, Artur P. Gieldon, Rafał Ślusarz, Mariusz Makowski, Paweł Krupa, Mateusz Kogut, Anna Antoniak, Patryk A. Wesołowski, Antoni Augustynowicz, Henryk Leszczyński, Jozef A. Liwo
Topics & Concepts
Molecular dynamicsComputer scienceReplicaStatistical physicsChemistryPhysicsComputational chemistryVisual artsArtProtein Structure and DynamicsEnzyme Structure and FunctionBacteriophages and microbial interactions