| 2007 |
|---|
| 4 | EE | M. Rami Reddy,
U. C. Singh,
Mark D. Erion:
Ab initio quantum mechanics-based free energy perturbation method for calculating relative solvation free energies.
Journal of Computational Chemistry 28(2): 491-494 (2007) |
| 1999 |
|---|
| 3 | EE | 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.
Journal of Computational Chemistry 20(10): 1018-1027 (1999) |
| 1998 |
|---|
| 2 | EE | 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.
Journal of Computational Chemistry 19(7): 769-780 (1998) |
| 1995 |
|---|
| 1 | | 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.
Journal of Computational Chemistry 16(12): 1513-1521 (1995) |
