scholarly journals Improved side-chain prediction accuracy using an ab initio potential energy function and a very large rotamer library

2004 ◽  
Vol 13 (3) ◽  
pp. 735-751 ◽  
Author(s):  
R. W. Peterson
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Energy Function ◽  
Prediction Accuracy ◽  
Potential Energy Function ◽  
Side Chain ◽  
Rotamer Library

Ab initio potential energy function for the dynamics of the fluoronium ion

1993 ◽  
Vol 47 (5) ◽  
pp. 335-373 ◽  
Author(s):  
F. A. Gianturco ◽  
E. Buonomo ◽  
E. Semprini ◽  
F. Stefani ◽  
Amadeo Palma
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Energy Function ◽  
Potential Energy Function

An ab initio investigation of the potential energy function and rotation—vibration energies of H2O·Na+

1991 ◽  
Vol 185 (3-4) ◽  
pp. 265-269 ◽  
Author(s):  
Vladimir Špirko ◽  
Nadim M. Daadoch ◽  
Hans J∅rgen Aa. Jensen ◽  
Poul J∅rgensen ◽  
Trygve Helgaker
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Energy Function ◽  
Potential Energy Function
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