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datasets
Datasets from the paper.
1.0
Jun 02, 2013

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Jun 02, 2013
3 MB
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Data/images/video
trpzip2 40 metastable states from 425K (30 models/PDB)

Jun 02, 2013
2 MB
Any
Data/images/video
trpzip2 40 metastable states (images)

PLEASE CITE THESE PAPERS

Automatic discovery of metastable states for the construction of Markov models of macromolecular conformational dynamics John D. Chodera*, Nina Singhal*, William C. Swope, Vijay S. Pande, and Ken A. Dill. * These authors contributed equally to the work. J. Chem. Phys. 126(15):155101 (2007) (2007) View


decompose-95
Fortran 95 code for automatic state decomposition.
decompose-95
Sep 03, 2008

This is the Fortran code used in the paper "Automatic discovery of metastable states for the construction of Markov models of macromolecular conformational dynamics". Note that more modern MSM construction software is available in the MSMBuilder [https://simtk.org/home/msmbuilder] and EMMA [https://simtk.org/home/emma] projects.  View License

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May 15, 2013
5 MB
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Source code
Fortran 90 code and alanine dipeptide example

PLEASE CITE THESE PAPERS

Automatic discovery of metastable states for the construction of Markov models of macromolecular conformational dynamics John D. Chodera*, Nina Singhal*, William C. Swope, Vijay S. Pande, and Ken A. Dill. * These authors contributed equally to the work. J. Chem. Phys. 126(15):155101 (2007) (2007) View


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