Ab initio construction of polypeptide fragments: Accuracy of loop decoy discrimination by an all-atom statistical potential and the AMBER force field with the Generalized Born solvation model

2003 ◽  
Vol 51 (1) ◽  
pp. 21-40 ◽  
Author(s):  
Paul I. W. de Bakker ◽  
Mark A. DePristo ◽  
David F. Burke ◽  
Tom L. Blundell
Keyword(s):  
Force Field ◽  
Ab Initio ◽  
Solvation Model ◽  
Statistical Potential ◽  
Generalized Born ◽  
Amber Force Field

Extension of the AMBER force-field for the study of large nitroxides in condensed phases: an ab initio parameterization

2010 ◽  
Vol 12 (37) ◽  
pp. 11697 ◽  
Author(s):  
Emiliano Stendardo ◽  
Alfonso Pedone ◽  
Paola Cimino ◽  
Maria Cristina Menziani ◽  
Orlando Crescenzi ◽  
...  
Keyword(s):  
Force Field ◽  
Ab Initio ◽  
Condensed Phases ◽  
Amber Force Field

scholarly journals Parameters of GB/SA Solvation Model Consistent with AMBER Force Field

2003 ◽  
Vol 19 (04) ◽  
pp. 289-292
Author(s):  
Zhang Wei ◽  
◽  
Hou Ting-Jun ◽  
Qiao Xue-Bin ◽  
Xu Xiao-Jie
Keyword(s):  
Force Field ◽  
Solvation Model ◽  
Amber Force Field

Millimetre-wave and infrared spectroscopy of Br13 CN: anharmonic force field of cyanogen bromide from spectroscopic data and ab initio calculations

1997 ◽  
Vol 90 (3) ◽  
pp. 495-497
Author(s):  
CLAUDIO ESPOSTI ◽  
FILIPPO TAMASSIA ◽  
CRISTINA PUZZARINI ◽  
RICCARDO TARRONI ◽  
ZDENEK ZELINGER
Keyword(s):  
Infrared Spectroscopy ◽  
Force Field ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Spectroscopic Data ◽  
Cyanogen Bromide ◽  
Millimetre Wave ◽  
Anharmonic Force

Vibrational spectra of stannane: Harmonic force field, Raman and IR intensities from ab initio correlated wavefunctions

1989 ◽  
Vol 130 (1-3) ◽  
pp. 451-456 ◽  
Author(s):  
Javier Fernandez Sanz ◽  
Antonio Marquez ◽  
Claude Pouchan
Keyword(s):  
Force Field ◽  
Ab Initio ◽  
Vibrational Spectra ◽  
Harmonic Force ◽  
Ir Intensities

Membrane Protein Simulations Using AMBER Force Field and Berger Lipid Parameters

2012 ◽  
Vol 8 (3) ◽  
pp. 948-958 ◽  
Author(s):  
Arnau Cordomí ◽  
Gianluigi Caltabiano ◽  
Leonardo Pardo
Keyword(s):  
Membrane Protein ◽  
Force Field ◽  
Amber Force Field ◽  
Lipid Parameters
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