Assessment of methods used for predicting lipophilicity: Application to nucleosides and nucleoside bases. - Vellarkad N. Viswanadhan; M. Rami Reddy; Russell J. Bacquet; Mark D. Erion (J. Comput. Chem., 1993)

Calculation of Relative Free Energy Differrences for the Covalent Hydration of Organic Compounds: A Combined Quantum Mechanical and Free Energy Perturbation Study. - Mark D. Erion; M. Rami Reddy (J. Comput. Chem., 1995)

Solvation free energies calculated using the GB/SA model: Sensitivity of results on charge sets, protocols, and force fields. - M. Rami Reddy; Mark D. Erion; Atul Agarwal; Vellarkad N. Viswanadhan; D. Quentin McDonald; W. Clark Still (J. Comput. Chem., 1998)

Calculation of relative solvation free energy differences by thermodynamic perturbation method: Dependence of free energy results on simulation length. - M. Rami Reddy; Mark D. Erion (J. Comput. Chem., 1999)

Ab initio quantum mechanics-based free energy perturbation method for calculating relative solvation free energies. - M. Rami Reddy; U. C. Singh; Mark D. Erion (J. Comput. Chem., 2007)

Relative solvation free energies calculated using an ab initio QM/MM-based free energy perturbation method: dependence of results on simulation length. - M. Rami Reddy; Mark D. Erion (J. Comput. Aided Mol. Des., 2009)