Homology modeling of 5-lipoxygenase and hints for better inhibitor design. - P. Aparoy; R. N. Reddy; Lalitha Guruprasad; M. Rami Reddy; P. Reddanna (J. Comput. Aided Mol. Des., 2008)

Minimum MD simulation length required to achieve reliable results in free energy perturbation calculations: Case study of relative binding free energies of fructose-1, 6-bisphosphatase inhibitors. - R. S. Rathore; P. Aparoy; P. Reddanna; Anand K. Kondapi; M. Rami Reddy (J. Comput. Chem., 2011)