scholarly journals FFParam: Standalone package for CHARMM additive and Drude polarizable force field parametrization of small molecules

2019 ◽  
Vol 41 (9) ◽  
pp. 958-970 ◽  
Author(s):  
Anmol Kumar ◽  
Ozge Yoluk ◽  
Alexander D. MacKerell
Keyword(s):  
Force Field ◽  
Small Molecules ◽  
Polarizable Force Field ◽  
Force Field Parametrization

scholarly journals Drude Polarizable Force Field Parametrization of Carboxylate and N-Acetyl Amine Carbohydrate Derivatives

2019 ◽  
Vol 15 (9) ◽  
pp. 4982-5000 ◽  
Author(s):  
Poonam Pandey ◽  
Asaminew H. Aytenfisu ◽  
Alexander D. MacKerell ◽  
Sairam S. Mallajosyula
Keyword(s):  
Force Field ◽  
Polarizable Force Field ◽  
Force Field Parametrization

A supervised fitting approach to force field parametrization with application to the SIBFA polarizable force field

2014 ◽  
Vol 35 (21) ◽  
pp. 1577-1591 ◽  
Author(s):  
Mike Devereux ◽  
Nohad Gresh ◽  
Jean-Philip Piquemal ◽  
Markus Meuwly
Keyword(s):  
Force Field ◽  
Polarizable Force Field ◽  
Force Field Parametrization
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