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J J Dannenberg

Showing results (31-40 of 41) with videos related to

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Journal of the American Chemical Society|October 28, 2004
Calculation of trans-hydrogen-bond 13C-15N three-bond and other scalar J-couplings in cooperative peptide models. A density functional theory studyPedro Salvador, Nadya Kobko, Robert Wieczorek, et al.
Journal of the American Chemical Society|October 13, 2005
Completely geometrically optimized DFT/ONIOM triple-helical collagen-like structures containing the ProProGly, ProProAla, ProProDAla, and ProProDSer triadsMidas I-Hsien Tsai, Yujia Xu, J J Dannenberg
The Journal of Physical Chemistry. B|December 17, 2008
Ramachandran revisited. DFT energy surfaces of diastereomeric trialanine peptides in the gas phase and aqueous solutionMidas I-Hsien Tsai, Yujia Xu, J J Dannenberg
The Journal of Physical Chemistry. B|January 26, 2011
Aggregation of capped hexaglycine strands into hydrogen-bonding motifs representative of pleated and rippled β-sheets, collagen, and polyglycine I and II crystal structures. A density functional theory studyJoshua A Plumley, Midas I-Hsien Tsai, J J Dannenberg
The Journal of Chemical Physics|October 9, 2012
Comparison of some dispersion-corrected and traditional functionals with CCSD(T) and MP2 ab initio methods: dispersion, induction, and basis set superposition errorDipankar Roy, Mateusz Marianski, Neepa T Maitra, et al.
The Journal of Physical Chemistry. B|March 8, 2014
Capping amyloid β-sheets of the tau-amyloid structure VQIVYK with hexapeptides designed to arrest growth. An ONIOM and density functional theory studyJoshua A Plumley, Jorge Ali-Torres, Gabor Pohl, et al.
Computational & Theoretical Chemistry|June 6, 2012
A Density Functional Theory Evaluation of Hydrophobic Solvation: Ne, Ar and Kr in a 50-Water Cluster. Implications for the Hydrophobic EffectNadya Kobko, Mateusz Marianski, Amparo Asensio, et al.
Biochemistry|June 27, 2012
Density functional theory study of β-hairpins in antiparallel β-sheets, a new classification based upon H-bond topologyDipankar Roy, Gabor Pohl, Jorge Ali-Torres, et al.
Journal of Medicinal Chemistry|May 13, 2014
Alternative chelator for ⁸⁹Zr radiopharmaceuticals: radiolabeling and evaluation of 3,4,3-(LI-1,2-HOPO)Melissa A Deri, Shashikanth Ponnala, Brian M Zeglis, et al.
Protein Science : a Publication of the Protein Society|February 29, 2008
Structural dependencies of protein backbone 2JNC' couplingsNenad Juranić, J J Dannenberg, Gabriel Cornilescu, et al.
Pageof 5

Showing results (31-40 of 41) with videos related to

Sort By:
Pageof 5
Journal of the American Chemical Society|October 28, 2004
Calculation of trans-hydrogen-bond 13C-15N three-bond and other scalar J-couplings in cooperative peptide models. A density functional theory studyPedro Salvador, Nadya Kobko, Robert Wieczorek, et al.
Journal of the American Chemical Society|October 13, 2005
Completely geometrically optimized DFT/ONIOM triple-helical collagen-like structures containing the ProProGly, ProProAla, ProProDAla, and ProProDSer triadsMidas I-Hsien Tsai, Yujia Xu, J J Dannenberg
The Journal of Physical Chemistry. B|December 17, 2008
Ramachandran revisited. DFT energy surfaces of diastereomeric trialanine peptides in the gas phase and aqueous solutionMidas I-Hsien Tsai, Yujia Xu, J J Dannenberg
The Journal of Physical Chemistry. B|January 26, 2011
Aggregation of capped hexaglycine strands into hydrogen-bonding motifs representative of pleated and rippled β-sheets, collagen, and polyglycine I and II crystal structures. A density functional theory studyJoshua A Plumley, Midas I-Hsien Tsai, J J Dannenberg
The Journal of Chemical Physics|October 9, 2012
Comparison of some dispersion-corrected and traditional functionals with CCSD(T) and MP2 ab initio methods: dispersion, induction, and basis set superposition errorDipankar Roy, Mateusz Marianski, Neepa T Maitra, et al.
The Journal of Physical Chemistry. B|March 8, 2014
Capping amyloid β-sheets of the tau-amyloid structure VQIVYK with hexapeptides designed to arrest growth. An ONIOM and density functional theory studyJoshua A Plumley, Jorge Ali-Torres, Gabor Pohl, et al.
Computational & Theoretical Chemistry|June 6, 2012
A Density Functional Theory Evaluation of Hydrophobic Solvation: Ne, Ar and Kr in a 50-Water Cluster. Implications for the Hydrophobic EffectNadya Kobko, Mateusz Marianski, Amparo Asensio, et al.
Biochemistry|June 27, 2012
Density functional theory study of β-hairpins in antiparallel β-sheets, a new classification based upon H-bond topologyDipankar Roy, Gabor Pohl, Jorge Ali-Torres, et al.
Journal of Medicinal Chemistry|May 13, 2014
Alternative chelator for ⁸⁹Zr radiopharmaceuticals: radiolabeling and evaluation of 3,4,3-(LI-1,2-HOPO)Melissa A Deri, Shashikanth Ponnala, Brian M Zeglis, et al.
Protein Science : a Publication of the Protein Society|February 29, 2008
Structural dependencies of protein backbone 2JNC' couplingsNenad Juranić, J J Dannenberg, Gabriel Cornilescu, et al.
Pageof 5