M. Rami Reddy
According to our database1,
M. Rami Reddy
authored at least 10 papers
between 1993 and 2011.
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Bibliography
2011
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., 2011
2009
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., 2009
2008
J. Comput. Aided Mol. Des., 2008
2007
<i>Ab initio</i> quantum mechanics-based free energy perturbation method for calculating relative solvation free energies.
J. Comput. Chem., 2007
Calculation of relative binding affinities of fructose 1, 6-bisphosphatase mutants with adenosine monophosphate using free energy perturbation method.
J. Comput. Chem., 2007
1999
Calculation of relative solvation free energy differences by thermodynamic perturbation method: Dependence of free energy results on simulation length.
J. Comput. Chem., 1999
1998
Solvation free energies calculated using the GB/SA model: Sensitivity of results on charge sets, protocols, and force fields.
J. Comput. Chem., 1998
1996
Solution structure of papain as studied by molecular mechanics and molecular dynamics techniques.
J. Comput. Chem., 1996
1995
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., 1995
1993
Assessment of methods used for predicting lipophilicity: Application to nucleosides and nucleoside bases.
J. Comput. Chem., 1993