MFsim-an open Java all-in-one rich-client simulation environment for mesoscopic simulation.
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ABSTRACT:
SUBMITTER: van den Broek K
PROVIDER: S-EPMC7195747 | biostudies-literature | 2020 May
REPOSITORIES: biostudies-literature
Publications
MFsim-an open Java all-in-one rich-client simulation environment for mesoscopic simulation.
van den Broek Karina K Daniel Mirco M Epple Matthias M Hein Jan-Mathis JM Kuhn Hubert H Neumann Stefan S Truszkowski Andreas A Zielesny Achim A
Journal of cheminformatics 20200501 1
MFsim is an open Java all-in-one rich-client computing environment for mesoscopic simulation with Jdpd as its default simulation kernel for Molecular Fragment (Dissipative Particle) Dynamics. The new environment comprises the complete preparation-simulation-evaluation triad of a mesoscopic simulation task and especially enables biomolecular simulation tasks with peptides and proteins. Productive highlights are a SPICES molecular structure editor, a PDB-to-SPICES parser for particle-based peptide ...[more]
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