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Program: ADSBET--Automated Determination of Salt-bridge Energy Terms
Author:c)--Arnab Nayek, Parth Sarthi Sen Gupta, Shyamashree Banerjee, Sunit Das, Vishma Pratap Sur, Pratay Seth, Rifat Nawaz Ul Islam and Amal K bandyopadhyay*
Department of Biotechnology,The University of Burdwan, India
Features
- ADSBET is the fully automated single step procedure that takes crystal structure as input and redirect salt-bridge energies as output in excel format i.e.
- 1. Net interaction energy as well as component energies such as, a) bridge-term b) background or protein term c) desolvation term
- 2. It runs from CYGWIN or other UNIX like environment
- 3. It is fast, accurate and user-friendly tools that works on any number of crystal structures with any number of salt-bridges in them.
- 4. Most importantly ADSBET does not involve any manual step (although there were many for such computations)
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