201 citations
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physics.bio-ph2020★ 3 cited
Protein - Small Molecule docking with receptor flexibility in iMOLSDOCK
D. Sam Paul, N. Gautham
We have earlier reported the iMOLSDOCK technique to perform induced-fit peptide-protein docking. iMOLSDOCK uses the mutually orthogonal Latin squares (MOLS) technique to sample the…
physics.bio-ph2017★ 7 cited
iMOLSDOCK : induced-fit docking using mutually orthogonal Latin squares (MOLS)
D. Sam Paul, N. Gautham
We have earlier reported the MOLSDOCK technique to perform rigid receptor/flexible ligand docking. The method uses the MOLS method, developed in our laboratory. In this paper we re…
physics.bio-ph2016★ 18 cited
MOLS 2.0: Software Package for Peptide Modelling and Protein-Ligand Docking
D. Sam Paul, N. Gautham
Here we give a detailed description of MOLS 2.0.The source code and binary of MOLS 2.0 are distributed free (under GNU Lesser General Public License) for the scientific community.…