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The Journal of Physical Chemistry. A
|
July 13, 2006
Stabilization energies of the hydrogen-bonded and stacked structures of nucleic acid base pairs in the crystal geometries of CG, AT, and AC DNA steps and in the NMR geometry of the 5'-d(GCGAAGC)-3' hairpin: Complete basis set calculations at the MP2 and CCSD(T) levels
Iwona Dabkowska, Haydee Valdes Gonzalez, Petr Jurecka, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 7, 2010
Large-scale compensation of errors in pairwise-additive empirical force fields: comparison of AMBER intermolecular terms with rigorous DFT-SAPT calculations
Marie Zgarbová, Michal Otyepka, Jirí Sponer, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 26, 2010
Reference MP2/CBS and CCSD(T) quantum-chemical calculations on stacked adenine dimers. Comparison with DFT-D, MP2.5, SCS(MI)-MP2, M06-2X, CBS(SCS-D) and force field descriptions
Claudio A Morgado, Petr Jurecka, Daniel Svozil, et al.
Methods (San Diego, Calif.)
|
April 29, 2009
Theoretical studies of RNA catalysis: hybrid QM/MM methods and their comparison with MD and QM
Pavel Banás, Petr Jurecka, Nils G Walter, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 21, 2006
Nature of base stacking: reference quantum-chemical stacking energies in ten unique B-DNA base-pair steps
Jirí Sponer, Petr Jurecka, Ivan Marchan, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 25, 2005
Are the hydrogen bonds of RNA (AU) stronger than those of DNA (AT)? A quantum mechanics study
Alberto Pérez, Jiri Sponer, Petr Jurecka, et al.
The Journal of Physical Chemistry. A
|
April 14, 2007
Understanding of assembly phenomena by aromatic-aromatic interactions: benzene dimer and the substituted systems
Eun Cheol Lee, Dongwook Kim, Petr Jurecka, et al.
The Journal of Physical Chemistry. A
|
April 7, 2007
Density-functional, density-functional tight-binding, and wave function calculations on biomolecular systems
Tomas Kubar, Petr Jurecka, Jirí Cerný, et al.
Biochemistry
|
September 20, 2007
Spectroscopic and theoretical insights into sequence effects of aminofluorene-induced conformational heterogeneity and nucleotide excision repair
Srinivasa Rao Meneni, Steven M Shell, Lan Gao, et al.
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Showing results (11-20 of 19) with videos related to
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You have reached the last page of results.
This site can display upto 19 results.
The Journal of Physical Chemistry. A
|
July 13, 2006
Stabilization energies of the hydrogen-bonded and stacked structures of nucleic acid base pairs in the crystal geometries of CG, AT, and AC DNA steps and in the NMR geometry of the 5'-d(GCGAAGC)-3' hairpin: Complete basis set calculations at the MP2 and CCSD(T) levels
Iwona Dabkowska, Haydee Valdes Gonzalez, Petr Jurecka, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 7, 2010
Large-scale compensation of errors in pairwise-additive empirical force fields: comparison of AMBER intermolecular terms with rigorous DFT-SAPT calculations
Marie Zgarbová, Michal Otyepka, Jirí Sponer, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 26, 2010
Reference MP2/CBS and CCSD(T) quantum-chemical calculations on stacked adenine dimers. Comparison with DFT-D, MP2.5, SCS(MI)-MP2, M06-2X, CBS(SCS-D) and force field descriptions
Claudio A Morgado, Petr Jurecka, Daniel Svozil, et al.
Methods (San Diego, Calif.)
|
April 29, 2009
Theoretical studies of RNA catalysis: hybrid QM/MM methods and their comparison with MD and QM
Pavel Banás, Petr Jurecka, Nils G Walter, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 21, 2006
Nature of base stacking: reference quantum-chemical stacking energies in ten unique B-DNA base-pair steps
Jirí Sponer, Petr Jurecka, Ivan Marchan, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 25, 2005
Are the hydrogen bonds of RNA (AU) stronger than those of DNA (AT)? A quantum mechanics study
Alberto Pérez, Jiri Sponer, Petr Jurecka, et al.
The Journal of Physical Chemistry. A
|
April 14, 2007
Understanding of assembly phenomena by aromatic-aromatic interactions: benzene dimer and the substituted systems
Eun Cheol Lee, Dongwook Kim, Petr Jurecka, et al.
The Journal of Physical Chemistry. A
|
April 7, 2007
Density-functional, density-functional tight-binding, and wave function calculations on biomolecular systems
Tomas Kubar, Petr Jurecka, Jirí Cerný, et al.
Biochemistry
|
September 20, 2007
Spectroscopic and theoretical insights into sequence effects of aminofluorene-induced conformational heterogeneity and nucleotide excision repair
Srinivasa Rao Meneni, Steven M Shell, Lan Gao, et al.
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of 2