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Malde, Alpeshkumar K., Zuo, Le, Breeze, Matthew, Stroet, Martin, Poger, David, Nair, Pramod C., Oostenbrink, Chris and Mark, Alan E. (2011) An automated force field topology builder (ATB) and repository: Version 1.0. Journal of Chemical Theory and Computation, 7 12: 4026-4037. doi:10.1021/ct200196m 106   93 Cited 92 times in Scopus92 2
Riniker, Sereina, Christ, Clara D., Hansen, Niels, Mark, Alan E., Nair, Pramod C. and van Gunsteren, Wilfred F. (2011) Comparison of enveloping distribution sampling and thermodynamic integration to calculate binding free energies of phenylethanolamine N-methyltransferase inhibitors. Journal of Chemical Physics, 135 2: 024105.1-024105.13. doi:10.1063/1.3604534 61   18 Cited 19 times in Scopus19 0
Nair, Pramod C., Malde, Alpeshkumar K., Drinkwater, Nyssa and Mark, Alan E. (2012) Missing fragments: Detecting cooperative binding in fragment-based drug design. ACS Medicinal Chemistry Letters, 3 4: 322-326. doi:10.1021/ml300015u 68   6 Cited 5 times in Scopus5 1
Nair, Pramod Chandrasekharan (2012). The application of free energy calculations and molecular dynamics simulations to drug design PhD Thesis, School of Chemistry and Molecular Biosciences, The University of Queensland. 247 19
Nair, Pramod C., Malde, Alpeshkumar K. and Mark, Alan E. (2011) Using theory to reconcile experiment : The structural and thermodynamic basis of ligand recognition by phenylethanolamine N -methyltransferase (PNMT). Journal of Chemical Theory and Computation, 7 5: 1458-1468. doi:10.1021/ct1007229 74   4 Cited 4 times in Scopus4 0