| 1 |
Pharmacophore fragment-based prediction and gas-phase ab initio optimization of carvedilol conformations
Almeida DRP, Gasparro DM, Fulop F, Csizmadia IG
Journal of Physical Chemistry A, 108(29), 6239, 2004 |
| 2 |
Resolution of carvedilol's conformational surface via gas and solvent phase density functional theory optimizations and NMR spectroscopy
Almeida DRP, Gasparro DM, Martinek TA, Fulop F, Csizmadia IG
Journal of Physical Chemistry A, 108(38), 7719, 2004 |
| 3 |
Fragmentation mechanisms of product ions from protonated tripeptides
El Aribi H, Orlova G, Rodriquez CF, Almeida DRP, Hopkinson AC, Siu KWM
Journal of Physical Chemistry B, 108(48), 18743, 2004 |
| 4 |
Molecular study on the enantiomeric relationships of carvedilol fragment A, 4-(2-hydroxypropoxy)carbazol, along with selected analogues
Almeida DRP, Gasparro DM, Pisterzi LF, Torday LL, Varro A, Papp JG, Penke B, Csizmadia IG
Journal of Physical Chemistry A, 107(29), 5594, 2003 |
| 5 |
Elucidation of fragmentation mechanisms of protonated peptide ions and their products: A case study on glycylglycylglycine using density functional theory and threshold collision-induced dissociation
El Aribi H, Rodriquez CF, Almeida DRP, Ling Y, Mak WWN, Hopkinson AC, Siu KWM
Journal of the American Chemical Society, 125(30), 9229, 2003 |
| 6 |
Density functional molecular computations on protonated serotonin in the gas phase and various solvent media
Pisterzi LF, Almeida DRP, Chass GA, Torday LL, Papp JG, Varro A, Csizmadia IG
Chemical Physics Letters, 365(5-6), 542, 2002 |
| 7 |
Density functional molecular study on the full conformational space of the S-4-(2-hydroxypropoxy)carbazol fragment of carvedilol (1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]-2-propanol) in vacuum and in different solvent media
Almeida DRP, Pisterzi LF, Chass GA, Torday LL, Varro A, Papp JG, Csizmadia MG
Journal of Physical Chemistry A, 106(43), 10423, 2002 |
