Pramod C. Nair

An Automated Force Field Topology Builder (ATB) and Repository: Version 1.0

Alpeshkumar K. Malde, L. Zuo, Matthew Breeze et al. · Journal of Chemical Theory and Computation · 2011 · 1.8K citations

Engineering, Molecular Biology, Computer-aided Design +26

Molecular dynamics simulations: from structure function relationships to drug discovery

Pramod C. Nair, John O. Miners · In Silico Pharmacology · 2014 · 104 citations · Full text

Engineering, Biochemistry, Protein Folding +14

A Novel Function for UDP Glycosyltransferase 8: Galactosidation of Bile Acids

Robyn Meech, Nurul Mubarokah, Aravind Shivasami et al. · Molecular Pharmacology · 2014 · 66 citations

Comparison of enveloping distribution sampling and thermodynamic integration to calculate binding free energies of phenylethanolamine N-methyltransferase inhibitors

Sereina Riniker, Clara D. Christ, Niels Hansen et al. · The Journal of Chemical Physics · 2011 · 55 citations

Engineering, Chemical Analysis, Computational Chemistry +18

Quantitative structure activity relationship studies on thiourea analogues as influenza virus neuraminidase inhibitors

Pramod C. Nair, M. Elizabeth Sobhia · European Journal of Medicinal Chemistry · 2007 · 36 citations · Full text

Biochemistry, Medicine, Rational Drug Design +5