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Mark D. Erion
Publication Activity (10 Years)
Years Active: 1993-2009
Publications (10 Years): 0
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Publications
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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)
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)
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)