We are pleased to invite you to the first WESTPA workshop at the University of Pittsburgh, July 13-14, 2015 (Registration deadline: June 1, 2015). WESTPA is an open-source, highly scalable implementation of the “weighted ensemble” path-sampling approach for studying rare events such as molecular associations, protein folding, and chemical kinetics of signaling networks. The software can control a wide variety of dynamics engines at any scale (e.g., atomistic, cellular). WESTPA includes facilities for generating path ensembles of continuous trajectories, as well as for estimating kinetics and equilibrium populations.
The workshop is designed for students and researchers who would like to learn how to use the WESTPA software with an existing stochastic dynamics engine (e.g. AMBER, NAMD, GROMACS, MCell, BioNetGen, etc.) to enhance the sampling of rare events. In addition to providing hands-on tutorials for using the WESTPA software, this workshop will also include presentations that cover algorithmic advances in weighted ensemble strategies as well as best practices in applying these strategies.
For further details please visit: http://chong.chem.pitt.edu/WESTPA/Workshop_form.html