scholarly journals Rapid Prediction of Solvation Free Energy. 2. The First-Shell Hydration (FiSH) Continuum Model

2010 ◽  
Vol 6 (5) ◽  
pp. 1622-1637 ◽  
Author(s):  
Christopher R. Corbeil ◽  
Traian Sulea ◽  
Enrico O. Purisima
Keyword(s):  
Free Energy ◽  
Continuum Model ◽  
Solvation Free Energy ◽  
Rapid Prediction

scholarly journals Rapid prediction of solvation free energy. 3. Application to the SAMPL2 challenge

2010 ◽  
Vol 24 (4) ◽  
pp. 373-383 ◽  
Author(s):  
Enrico O. Purisima ◽  
Christopher R. Corbeil ◽  
Traian Sulea
Keyword(s):  
Free Energy ◽  
Solvation Free Energy ◽  
Rapid Prediction

Application of the frozen atom approximation to the GB/SA continuum model for solvation free energy

2001 ◽  
Vol 23 (2) ◽  
pp. 214-221 ◽  
Author(s):  
Olgun Guvench ◽  
Jörg Weiser ◽  
Peter Shenkin ◽  
István Kolossváry ◽  
W. Clark Still
Keyword(s):  
Free Energy ◽  
Continuum Model ◽  
Solvation Free Energy
Sign in / Sign up

Export Citation Format

Share Document