D. Paul

发表

Improved docking of peptides and small molecules in iMOLSDOCK

P. Karthe, D. Paul, 2022, Journal of Molecular Modeling.

Multi-conformation representation of Mpro identifies promising candidates for drug repurposing against COVID-19

Shubhra Ghosh Dastidar, Debadrita Basu, D. Paul, 2021, Journal of Molecular Modeling.

iMOLSDOCK: Induced-fit docking using mutually orthogonal Latin squares (MOLS).

D Sam Paul, N Gautham, N. Gautham, 2017, Journal of molecular graphics & modelling.

MOLS 2.0: software package for peptide modeling and protein–ligand docking

D Sam Paul, N Gautham, N. Gautham, 2016, Journal of Molecular Modeling.

Protein–small molecule docking with receptor flexibility in iMOLSDOCK

N. Gautham, D. Sam Paul, N. Gautham, 2018, Journal of Computer-Aided Molecular Design.