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                                Huo Group
                                              Computational Chemistry & Biophysics


The implementation of Dijkstra’s algorithm in MaxFlux-PRM is available to download for academic use only. Any request should be sent directly to the PI (Prof. Huo, shuo@clarku.edu). Appropriate acknowledgement to the author(s) of the program in any scientific publications based in part on the program is required.


Citations:

1. D. Li, H. Yang, L. Han, S. Huo. "Predicting the folding pathway of engrailed homeodomain with a probabilistic roadmap enhanced reaction-path algorithm". Biophys. J. 94, 1622-1629 (2008).

2. H. Yang, H. Wu, D. Li, L. Han, S. Huo. "Temperature-Dependent probabilistic roadmap: algorithm for calculating variationally optimized conformational transition pathways". J. Chem. Theory Comput. 3: 17-25 (2007).