검색결과 : 5건
| No. | Article |
|---|---|
| 1 |
Hydration Free Energies Using Semiempirical Quantum Mechanical Hamiltonians and a Continuum Solvent Model with Multiple Atomic-Type Parameters Anisimov VM, Cavasotto CN Journal of Physical Chemistry B, 115(24), 7896, 2011 |
| 2 |
Representing receptor flexibility in ligand docking through relevant normal modes Cavasotto CN, Kovacs JA, Abagyan RA Journal of the American Chemical Society, 127(26), 9632, 2005 |
| 3 |
Electronic mechanisms of intra and intermolecular J couplings in systems with C-H...O interactions Giribet CG, de Azua MCR, Vizioli CV, Cavasotto CN International Journal of Molecular Sciences, 4(4), 203, 2003 |
| 4 |
Direct derivation of van der Waals force field parameters from quantum mechanical interaction energies Bordner AJ, Cavasotto CN, Abagyan RA Journal of Physical Chemistry B, 107(35), 9601, 2003 |
| 5 |
Accurate transferable model for water, n-octanol, and n-hexadecane solvation free energies Bordner AJ, Cavasotto CN, Abagyan RA Journal of Physical Chemistry B, 106(42), 11009, 2002 |