SIMUFLEX
Brownian dynamics of flexible bead-and-connector macromolecules.
About
SIMUFLEX is a suite of algorithms and tools for simulating the conformation and dynamics of flexible molecules and nanoparticles in dilute solution, using bead-and-connector models and Brownian dynamics.
Co-developed with the macromolecular dynamics group of Prof. García de la Torre at Universidad de Murcia.
Key features
Bead-and-connector dynamics
Coarse-grained model suitable for very large flexible macromolecules.
Solution properties calculation
Hydrodynamic and conformational properties from simulated trajectories.
Long-running collaboration
Mature tool with a base of published applications across biochemistry and materials.
Access
HPC tool
Download from UMU site
Free for academic use · co-developed with García de la Torre group (UMU)
http://leonardo.inf.um.es/macromol/programs/simuflex-4/simuflex-4.htm →Cite this tool
SIMUFLEX: Algorithms and tools for simulation of the conformation and dynamics of flexible molecules and nanoparticles in dilute solution