United Kingdom
Peptides, fragments and their stability
Partners:
Gregory A. Chass University of Wale, Bangor UNITED KINGDOMPapers:
1 T. H. Tang, D. C Fang, G. A. Chass, A. G. Harrison and I. G. Csizmadia. (2004) A computational study of the fragmentation of b3 ions derived from protonated peptides. J. Mol. Struct. (THEOCHEM) 675; 79-93.
2 G. A. Chass, C. N. J. Marai, D. H. Setiadi, I. G. Csizmadia and A. G. Harrison. (2004) A Hartree–Fock, MP2 and DFT computational study of the structures and energies of ″b2 ions derived from deprotonated peptides. A comparison of method and basis set used on relative product stabilities. J. Mol. Struct. (THEOCHEM) 675; 149-162.
3 J. M. S. Law, D. H. Setiadi, G. A. Chass, I. G. Csizmadia, B. Viskolcz. (2005) Flexibility of “Polyunsaturated Fatty Acid Chains” and Peptide Backbones: A Comparative ab initio Study. J. Phys. Chem. A. 109 (3): 520-533.
4 M. A. Sahai, T. A. K. Kehoe, J. C. P. Koo, D. H. Setiadi, G. A. Chass, B. Viskolcz, B. Penke, E. F. Pai, I. G. Csizmadia. (2005) First Principle Computational Study on the Full Conformational Space of L-Proline Diamides. J. Phys. Chem. A. 109 (11); 2660-2679.
5 G. A. Chass, R. S. Mirasol, D. H. Setiadi, T. H. Tang, W. Chin, M. Mons, I. Dimicoli, J. P. Dognon, B. Viskolcz, S. Lovas, B. Penke, I. G. Csizmadia (2005) Characterization of the Conformational Probability of N-Acetyl-Phenylalanyl-NH2 by RHF, DFT, MP2 Computation and AIM Analyses, Confirmed by Jet-Cooled Infrared Data, J. Phys. Chem. A 109(24); 5289-5302.
6 G. A. Chass, R. S. Mirasol, D. H. Setiadi, T. H. Tang, W. Chin, M. Mons, I. Dimicoli, J. P. Dognon, B. Viskolcz, S. Lovas, B. Penke, I. G. Csizmadia (2005) Characterization of the Conformational Probability of N-Acetyl-Phenylalanyl-NH2 by RHF, DFT, MP2 Computation and AIM Analyses, Confirmed by Jet-Cooled Infrared Data, J. Phys. Chem. A 109(24); 5289-5302.
7 Z. Mucsi, A.Tsai, M. Szori, G.A. Chass, B. Viskolcz, I.G. Csizmadia, (2007): "A quantitative scale for the extent of conjugation of the amide bond. Amidity percentage as a chemical driving force" J. Phys. Chem.-A 111,13245-13254