M. Rami Reddy

Publication Activity (10 Years)

Years Active: 1993-2011
Publications (10 Years): 0

Publications

R. S. Rathore, P. Aparoy, P. Reddanna, Anand K. Kondapi, M. Rami Reddy
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. J. Comput. Chem. 32 (10) (2011)
M. Rami Reddy, Mark D. Erion
Relative solvation free energies calculated using an ab initio QM/MM-based free energy perturbation method: dependence of results on simulation length. J. Comput. Aided Mol. Des. 23 (12) (2009)
P. Aparoy, R. N. Reddy, Lalitha Guruprasad, M. Rami Reddy, P. Reddanna
Homology modeling of 5-lipoxygenase and hints for better inhibitor design. J. Comput. Aided Mol. Des. 22 (9) (2008)
Ravichandra Mutyala, R. N. Reddy, M. Sumakanth, P. Reddanna, M. Rami Reddy
Calculation of relative binding affinities of fructose 1, 6-bisphosphatase mutants with adenosine monophosphate using free energy perturbation method. J. Comput. Chem. 28 (5) (2007)
M. Rami Reddy, U. C. Singh, Mark D. Erion
quantum mechanics-based free energy perturbation method for calculating relative solvation free energies. J. Comput. Chem. 28 (2) (2007)
M. Rami Reddy, Mark D. Erion
Calculation of relative solvation free energy differences by thermodynamic perturbation method: Dependence of free energy results on simulation length. J. Comput. Chem. 20 (10) (1999)
M. Rami Reddy, Mark D. Erion, Atul Agarwal, Vellarkad N. Viswanadhan, D. Quentin McDonald, W. Clark Still
Solvation free energies calculated using the GB/SA model: Sensitivity of results on charge sets, protocols, and force fields. J. Comput. Chem. 19 (7) (1998)
N. Swamy Kandadai, M. Rami Reddy
Solution structure of papain as studied by molecular mechanics and molecular dynamics techniques. J. Comput. Chem. 17 (11) (1996)
Mark D. Erion, M. Rami Reddy
Calculation of Relative Free Energy Differrences for the Covalent Hydration of Organic Compounds: A Combined Quantum Mechanical and Free Energy Perturbation Study. J. Comput. Chem. 16 (12) (1995)
Vellarkad N. Viswanadhan, M. Rami Reddy, Russell J. Bacquet, Mark D. Erion
Assessment of methods used for predicting lipophilicity: Application to nucleosides and nucleoside bases. J. Comput. Chem. 14 (9) (1993)