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J J Dannenberg

Showing results (21-30 of 41) with videos related to

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The Journal of Physical Chemistry. B|February 14, 2007
Direct calculation of trans-hydrogen-bond 13C-15N 3-bond J-couplings in entire polyalanine alpha-helices. A density functional theory studyPedro Salvador, Robert Wieczorek, J J Dannenberg
Biochemistry|January 16, 2014
Capping parallel β-sheets of acetyl(Ala)6NH2 with an acetyl(Ala)5ProNH2 can arrest the growth of the sheet, suggesting a potential for curtailing amyloid growth. An ONIOM and density functional theory studyGabor Pohl, Amparo Asensio, J J Dannenberg
The Journal of Physical Chemistry. B|June 8, 2007
The effect of aqueous solvation upon alpha-helix formation for polyalaninesPedro Salvador, Amaparo Asensio, J J Dannenberg
The Journal of Physical Chemistry. B|January 24, 2008
Attractive strain: the disadvantages of rigid multiple H-bond donors and acceptors. A theoretical analysis of the hydrogen-bonding interactions in complexes of tetraazaanthracenedione with pyridylureasAntonio Oliva, Juan Bertran, J J Dannenberg
The Journal of Physical Chemistry. A|July 7, 2012
A reinvestigation of the dimer of para-benzoquinone and pyrimidine with MP2, CCSD(T), and DFT using functionals including those designed to describe dispersionMateusz Marianski, Antoni Oliva, J J Dannenberg
The Journal of Chemical Physics|August 3, 2012
Comparison of some dispersion-corrected and traditional functionals as applied to peptides and conformations of cyclohexane derivativesMateusz Marianski, Amparo Asensio, J J Dannenberg
The Journal of Physical Chemistry. B|June 26, 2007
Through hydrogen-bond vibrational coupling in hydrogen-bonding chains of 4-pyridones with implications for peptide amide I absorptions: density functional theory compared with transition dipole couplingYung-Fou Chen, Raji Viswanathan, J J Dannenberg
The Journal of Organic Chemistry|September 27, 2003
An o-iminothioquinone: its cycloaddition to produce an indologlycoside and its self-dimerization to form a dithio-diazocycloctane, the structure assignment of which is based on the DFT prediction of its IR spectrumVinh Diep, J J Dannenberg, Richard W Franck
The Journal of Chemical Physics|July 5, 2013
The interactions of phenylalanines in β-sheet-like structures from molecular orbital calculations using density functional theory (DFT), MP2, and CCSD(T) methodsGabor Pohl, Joshua A Plumley, J J Dannenberg
Physical Chemistry Chemical Physics : PCCP|September 8, 2011
J-coupling constants for a trialanine peptide as a function of dihedral angles calculated by density functional theory over the full Ramachandran spacePedro Salvador, I-Hsien Midas Tsai, J J Dannenberg
Pageof 5

Showing results (21-30 of 41) with videos related to

Sort By:
Pageof 5
The Journal of Physical Chemistry. B|February 14, 2007
Direct calculation of trans-hydrogen-bond 13C-15N 3-bond J-couplings in entire polyalanine alpha-helices. A density functional theory studyPedro Salvador, Robert Wieczorek, J J Dannenberg
Biochemistry|January 16, 2014
Capping parallel β-sheets of acetyl(Ala)6NH2 with an acetyl(Ala)5ProNH2 can arrest the growth of the sheet, suggesting a potential for curtailing amyloid growth. An ONIOM and density functional theory studyGabor Pohl, Amparo Asensio, J J Dannenberg
The Journal of Physical Chemistry. B|June 8, 2007
The effect of aqueous solvation upon alpha-helix formation for polyalaninesPedro Salvador, Amaparo Asensio, J J Dannenberg
The Journal of Physical Chemistry. B|January 24, 2008
Attractive strain: the disadvantages of rigid multiple H-bond donors and acceptors. A theoretical analysis of the hydrogen-bonding interactions in complexes of tetraazaanthracenedione with pyridylureasAntonio Oliva, Juan Bertran, J J Dannenberg
The Journal of Physical Chemistry. A|July 7, 2012
A reinvestigation of the dimer of para-benzoquinone and pyrimidine with MP2, CCSD(T), and DFT using functionals including those designed to describe dispersionMateusz Marianski, Antoni Oliva, J J Dannenberg
The Journal of Chemical Physics|August 3, 2012
Comparison of some dispersion-corrected and traditional functionals as applied to peptides and conformations of cyclohexane derivativesMateusz Marianski, Amparo Asensio, J J Dannenberg
The Journal of Physical Chemistry. B|June 26, 2007
Through hydrogen-bond vibrational coupling in hydrogen-bonding chains of 4-pyridones with implications for peptide amide I absorptions: density functional theory compared with transition dipole couplingYung-Fou Chen, Raji Viswanathan, J J Dannenberg
The Journal of Organic Chemistry|September 27, 2003
An o-iminothioquinone: its cycloaddition to produce an indologlycoside and its self-dimerization to form a dithio-diazocycloctane, the structure assignment of which is based on the DFT prediction of its IR spectrumVinh Diep, J J Dannenberg, Richard W Franck
The Journal of Chemical Physics|July 5, 2013
The interactions of phenylalanines in β-sheet-like structures from molecular orbital calculations using density functional theory (DFT), MP2, and CCSD(T) methodsGabor Pohl, Joshua A Plumley, J J Dannenberg
Physical Chemistry Chemical Physics : PCCP|September 8, 2011
J-coupling constants for a trialanine peptide as a function of dihedral angles calculated by density functional theory over the full Ramachandran spacePedro Salvador, I-Hsien Midas Tsai, J J Dannenberg
Pageof 5