scholarly journals Framework for Conducting and Analyzing Crystal Simulations of Nucleic Acids to Aid in Modern Force Field Evaluation

2019 ◽  
Vol 123 (22) ◽  
pp. 4611-4624 ◽  
Author(s):  
Şölen Ekesan ◽  
Darrin M. York
Keyword(s):  
Nucleic Acids ◽  
Force Field ◽  
Field Evaluation

Molecular force field evaluation by empirical constraints

1976 ◽  
Vol 73 ◽  
pp. 1051-1057
Author(s):  
Sadao Isotani ◽  
Alain J.-P. Alix
Keyword(s):  
Force Field ◽  
Field Evaluation ◽  
Molecular Force ◽  
Molecular Force Field

scholarly journals A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

1995 ◽  
Vol 117 (19) ◽  
pp. 5179-5197 ◽  
Author(s):  
Wendy D. Cornell ◽  
Piotr Cieplak ◽  
Christopher I. Bayly ◽  
Ian R. Gould ◽  
Kenneth M. Merz ◽  
...  
Keyword(s):  
Nucleic Acids ◽  
Force Field ◽  
Second Generation ◽  
Organic Molecules

Calibrating nucleic acids torsional energetics in force-field: insights from model compounds

2001 ◽  
Vol 537 (1-3) ◽  
pp. 283-305 ◽  
Author(s):  
D Bosch ◽  
N Foloppe ◽  
N Pastor ◽  
L Pardo ◽  
M Campillo
Keyword(s):  
Nucleic Acids ◽  
Force Field ◽  
Model Compounds

scholarly journals 110 Refinement of force field torsion parameters for nucleic acids based on inclusion of conformation-dependent solvation effects

2013 ◽  
Vol 31 (sup1) ◽  
pp. 70-70 ◽  
Author(s):  
Marie Zgarbová ◽  
Michal Otyepka ◽  
Pavel Banáš ◽  
F. Javier Luque ◽  
Thomas E. Cheatham ◽  
...  
Keyword(s):  
Nucleic Acids ◽  
Force Field ◽  
Solvation Effects

scholarly journals Refinement of the Cornell et al. Nucleic Acids Force Field Based on Reference Quantum Chemical Calculations of Glycosidic Torsion Profiles

2011 ◽  
Vol 7 (9) ◽  
pp. 2886-2902 ◽  
Author(s):  
Marie Zgarbová ◽  
Michal Otyepka ◽  
Jiří Šponer ◽  
Arnošt Mládek ◽  
Pavel Banáš ◽  
...  
Keyword(s):  
Nucleic Acids ◽  
Force Field ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical
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