화학공학소재연구정보센터
검색결과 : 3건
No. Article
1 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
2 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
3 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