MOLS 2.0

This is the Linux app named MOLS 2.0 whose latest release can be downloaded as MOLS2.0.1.tar.gz. It can be run online in the free hosting provider OnWorks for workstations.

 
 

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SCREENSHOTS:


MOLS 2.0


DESCRIPTION:

MOLS 2.0 is a free and open-source software package for peptide modeling and protein-ligand docking.

Authors: Dr. D. Sam Paul, Dr. S. Nehru Viji, Dr. P. Arun Prasad, Dr. K. Vengadesan, Dr. N. Gautham.

If you use MOLS 2.0 for publication, please cite - D. Sam Paul, N. Gautham, MOLS 2.0: software package for peptide modeling and protein–ligand docking, Journal of Molecular Modeling 22 (2016) 1–9.

Publications related to MOLS 2.0:
1. Vengadesan, K. & Gautham, N. Enhanced sampling of the molecular potential energy surface using mutually orthogonal Latin squares: Application to peptide structures. Biophys. J. 84, 2897 (2003).
2. Arun Prasad, P. & Gautham, N. A new peptide docking strategy using a mean field technique with mutually orthogonal Latin square sampling. J. Comput. Aided Mol. Des. 22, 815–829 (2008).
3. Viji, S. N., Prasad, P. A. & Gautham, N. Protein- Ligand Docking Using Mutually Orthogonal Latin Squares (MOLSDOCK). J. Chem. Inf. Model. 49, 2687–2694 (2009).



This is an application that can also be fetched from https://sourceforge.net/projects/mols2-0/. It has been hosted in OnWorks in order to be run online in an easiest way from one of our free Operative Systems.



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