| 1 |
Capping Amyloid beta-Sheets of the Tau-Amyloid Structure VQIVYK with Hexapeptides Designed To Arrest Growth. An ONIOM and Density Functional Theory Study
Plumley JA, Ali-Torres J, Pohl G, Dannenberg JJ
Journal of Physical Chemistry B, 118(12), 3326, 2014 |
| 2 |
Aqueous Solvation of Polyalanine alpha-Helices with Specific Water Molecules and with the CPCM and SM5.2 Aqueous Continuum Models Using Density Functional Theory
Marianski M, Dannenberg JJ
Journal of Physical Chemistry B, 116(4), 1437, 2012 |
| 3 |
The Folding of Acetyl(Ala)(28)NH2 and Acetyl(Ala)(40)NH2 Extended Strand Peptides into Antiparallel beta-Sheets. A Density Functional Theory Study of beta-Sheets with beta-Turns
Ali-Torres J, Dannenberg JJ
Journal of Physical Chemistry B, 116(48), 14017, 2012 |
| 4 |
The effects of regularly spaced glutamine substitutions on alpha-helical peptide structures: A DFT/ONIOM study
Roy D, Dannenberg JJ
Chemical Physics Letters, 512(4-6), 255, 2011 |
| 5 |
Aggregation of Capped Hexaglycine Strands into Hydrogen-Bonding Motifs Representative of Pleated and Rippled beta-Sheets, Collagen, and Polyglycine I and II Crystal Structures. A Density Functional Theory Study
Plumley JA, Tsai M, Dannenberg JJ
Journal of Physical Chemistry B, 115(6), 1562, 2011 |
| 6 |
Comparison of beta-Sheets of Capped Polyalanine with Those of the Tau-Amyloid Structures VQIVYK and VQIINK. A Density Functional Theory Study
Plumley JA, Dannenberg JJ
Journal of Physical Chemistry B, 115(35), 10560, 2011 |
| 7 |
The Importance of Hydrogen Bonding between the Glutamine Side Chains to the Formation of Amyloid VQIVYK Parallel beta-Sheets: An ONIOM DFT/AM1 Study
Plumley JA, Dannenberg JJ
Journal of the American Chemical Society, 132(6), 1758, 2010 |
| 8 |
Ramachandran Revisited. DFT Energy Surfaces of Diastereomeric Trialanine Peptides in the Gas Phase and Aqueous Solution
Tsai M, Xu YJ, Dannenberg JJ
Journal of Physical Chemistry B, 113(1), 309, 2009 |
| 9 |
Amide I vibrational frequencies of alpha-helical peptides based upon ONIOM and density functional theory (DFT) studies
Wimorek R, Dannenberg JJ
Journal of Physical Chemistry B, 112(4), 1320, 2008 |
| 10 |
Attractive strain: The disadvantages of rigid multiple H-bond donors and acceptors. A theoretical analysis of the hydrogen-bonding interactions in complexes of tetraazaahthracenedione with pyridylureas
Oliva A, Bertran J, Dannenberg JJ
Journal of Physical Chemistry B, 112(6), 1765, 2008 |
