prody/DruGUI
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DruGUI ====== DruGUI is a VMD plugin GUI and a Python module developed for setup and analysis of simulations described in Bakan et al., 2012. Homepage -------- http://prody.csb.pitt.edu/drugui/ Citation -------- Bakan A, Nevins N, Lakdawala AS, Bahar I `Druggability Assessment of Allosteric Proteins by Dynamics Simulations in the Presence of Probe Molecules *J Chem Theory Comput* **2012** 8(7):2435-2447 Paper: http://pubs.acs.org/doi/abs/10.1021/ct300117j