GitHub - jamesmkrieger/DruGUI: Druggability Suite

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Name		Name	Last commit message	Last commit date
Latest commit History 52 Commits
_static		_static
_templates		_templates
drugui		drugui
drugui_tutorial_files		drugui_tutorial_files
.gitignore		.gitignore
Makefile		Makefile
README		README
analyze.rst		analyze.rst
backgr.rst		backgr.rst
cgenff.rst		cgenff.rst
conf.py		conf.py
files.txt		files.txt
grids.rst		grids.rst
index.rst		index.rst
intro.rst		intro.rst
license.rst		license.rst
make.bat		make.bat
probes.rst		probes.rst
setup.rst		setup.rst
specify.rst		specify.rst
visuals.rst		visuals.rst

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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