New parameterization of the Cornell et al. empirical force field covering amino group nonplanarity in nucleic acid bases

Filip Ryj�?ek; Tom�? Kuba?; Pavel Hobza

doi:10.1002/jcc.10352

New parameterization of the Cornell et al. empirical force field covering amino group nonplanarity in nucleic acid bases

Journal of Computational Chemistry ◽

10.1002/jcc.10352 ◽

2003 ◽

Vol 24 (15) ◽

pp. 1891-1902 ◽

Cited By ~ 13

Author(s):

Filip Ryj�?ek ◽

Tom�? Kuba? ◽

Pavel Hobza

Keyword(s):

Nucleic Acid ◽

Force Field ◽

Amino Group ◽

Nucleic Acid Bases ◽

Empirical Force Field

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The small planarization barriers for the amino group in the nucleic acid bases

The Journal of Chemical Physics ◽

10.1063/1.2162538 ◽

2006 ◽

Vol 124 (4) ◽

pp. 044303 ◽

Cited By ~ 31

Author(s):

Suyun Wang ◽

Henry F. Schaefer

Keyword(s):

Nucleic Acid ◽

Amino Group ◽

Nucleic Acid Bases

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Development of CHARMM Polarizable Force Field for Nucleic Acid Bases Based on the Classical Drude Oscillator Model

The Journal of Physical Chemistry B ◽

10.1021/jp1092338 ◽

2011 ◽

Vol 115 (3) ◽

pp. 580-596 ◽

Cited By ~ 98

Author(s):

Christopher M. Baker ◽

Victor M. Anisimov ◽

Alexander D. MacKerell

Keyword(s):

Nucleic Acid ◽

Force Field ◽

Oscillator Model ◽

Nucleic Acid Bases ◽

Polarizable Force Field

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Myeloperoxidase Catalyzed Bromination of Nucleic Acid Bases and Related Compounds

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.62.3750 ◽

1989 ◽

Vol 62 (11) ◽

pp. 3750-3751 ◽

Cited By ~ 2

Author(s):

Toshio Itahara ◽

Naoko Ide

Keyword(s):

Nucleic Acid ◽

Nucleic Acid Bases ◽

Related Compounds

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Conformation of non-aromatic ring compounds - 89 The conformation of 3-(2,6-dichlorophenyl)glutaric anhydride studied by dynamic proton magnetic resonance and empirical force field calculations

Recueil des Travaux Chimiques des Pays-Bas ◽

10.1002/recl.19740931202 ◽

2010 ◽

Vol 93 (12) ◽

pp. 307-311 ◽

Cited By ~ 7

Author(s):

F. J. Koer ◽

D. H. Faber ◽

C. Altona

Keyword(s):

Magnetic Resonance ◽

Force Field ◽

Aromatic Ring ◽

Proton Magnetic Resonance ◽

Force Field Calculations ◽

Glutaric Anhydride ◽

Ring Compounds ◽

Empirical Force Field ◽

Empirical Force Field Calculations

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ChemInform Abstract: EMPIRICAL FORCE FIELD CALCULATIONS FOR BRIDGED ANNULENES

Chemischer Informationsdienst ◽

10.1002/chin.198129078 ◽

1981 ◽

Vol 12 (29) ◽

Author(s):

G. FAVINI ◽

M. SIMONETTA ◽

M. SOTTOCORNOLA ◽

R. TODESCHINI

Keyword(s):

Force Field ◽

Force Field Calculations ◽

Empirical Force Field ◽

Empirical Force Field Calculations

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Neutron Inelastic Scattering, Optical Spectroscopies and Scaled Quantum Mechanical Force Fields for Analyzing the Vibrational Dynamics of Pyrimidine Nucleic Acid Bases. 1. Uracil

The Journal of Physical Chemistry ◽

10.1021/jp952485x ◽

1996 ◽

Vol 100 (13) ◽

pp. 5224-5234 ◽

Cited By ~ 64

Author(s):

A. Aamouche ◽

M. Ghomi ◽

C. Coulombeau ◽

H. Jobic ◽

L. Grajcar ◽

...

Keyword(s):

Nucleic Acid ◽

Inelastic Scattering ◽

Force Fields ◽

Mechanical Force ◽

Quantum Mechanical ◽

Nucleic Acid Bases ◽

Vibrational Dynamics ◽

Neutron Inelastic Scattering ◽

Mechanical Force Fields

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Analysis of conformational parameters in nucleic acid fragments. II. Co-crystal complexes of nucleic acid bases

Nucleic Acids Research ◽

10.1093/nar/16.2.385 ◽

1988 ◽

Vol 16 (2) ◽

pp. 385-393 ◽

Cited By ~ 7

Author(s):

C.C. Wilson

Keyword(s):

Nucleic Acid ◽

Nucleic Acid Bases

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The conformational flexibility of nucleic acid bases paired in gas phase: A Car-Parrinello molecular dynamics study

The Journal of Chemical Physics ◽

10.1063/1.4720352 ◽

2012 ◽

Vol 136 (20) ◽

pp. 205102 ◽

Cited By ~ 5

Author(s):

Shiyan Xiao ◽

Haojun Liang

Keyword(s):

Molecular Dynamics ◽

Nucleic Acid ◽

Gas Phase ◽

Conformational Flexibility ◽

Nucleic Acid Bases

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Thermochemistry of aqueous solutions of alkylated nucleic acid bases

Biophysical Chemistry ◽

10.1016/0301-4622(79)85029-2 ◽

1979 ◽

Vol 10 (3-4) ◽

pp. 415-421 ◽

Cited By ~ 19

Author(s):

Anna Zielenkiewicz ◽

Ewa Plesiewicz ◽

Kazimierz L. Wierzchowski

Keyword(s):

Nucleic Acid ◽

Aqueous Solutions ◽

Nucleic Acid Bases

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Study on the inhibition of protein production by L-cysteine derivatives of nucleic acid bases

Nucleic Acids Symposium Series ◽

10.1093/nass/2.1.103 ◽

2002 ◽

Vol 2 (1) ◽

pp. 103-104

Author(s):

Y. Inaki ◽

H. Maruoka

Keyword(s):

Nucleic Acid ◽

Protein Production ◽

Nucleic Acid Bases ◽

Derivatives Of

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