/sim_setups

Simulation input files needed for SAXS-guided structure-based simulations of lysine-, arginine-, ornithine-binding protein and adenylate kinase.

Primary LanguagePython

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# READ ME #
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This folder contains input files for SAXS-guided structure-based simulations of lysine-, arginine-, ornithine-binding protein (LAO/) and adenylate kinase (ADK/).
In addition, an exemplary FLAPS optimization setup (setup.py) is given.