Based on source code of SANDER from AMBER10, Cheung group (https://mynsm.uh.edu/wiki/projects/cheunggroup/) from University of Houston has been continuously making efforts for molecular simulations of coarse-grained protein models. The code is now released for promoting research in protein-protein association simulations.

The code includes additional Hamiltonian terms for the coarse-grained model (as described in http://www.pnas.org/content/110/51/20545.abstract) and uses the algorithm developed by Northup-Allison-Mccammon. The code is parallelized with MPI and allows association in a large timescale of ms.

Users need to have a complete set of amber10 code for application of this modification.

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  • Coarse-grained Molecular Simulations

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Registered

2015-10-08
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