Mark D. Erion

According to our database, Mark D. Erion authored at least 6 papers between 1993 and 2009.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2009

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

2007

<i>Ab initio</i> 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

1999

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

1998

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

1995

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

1993

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