Peptide Mutant Structure

Partners:

Papers:

1. 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.
2. M. A. Sahai, S. N. Fejer, B. Viskolcz, E. F. Pai, I. G. Csizmadia (2006) A First-Principle Computational Study on the Full Conformational Space of L-Threonine Diamide, Energetic stability of cis and trans isomers. J. Phys. Chem. A. 110, 11527-11536.
3. M. A. Sahai, M. Szori, B. Viskolcz, E. F. Pai, I.G. Csizmadia (2007) Transition State Infrared Spectra for the Trans → Cis Isomerization of a Simple Peptide Model. J. Phys. Chem. A 111, 8384-8389
4. Michelle A. Sahai, Bela Viskolcz, Emil F. Pai, Imre G. Csizmadia (2007) "Quantifying the Intrinsic Effects of Two Point Mutation Models of Pro-Pro Diamino Acid Diamide. A First-Principle Computational Study." J. Phys. Chem.-B 111, 11592-11602
5. Alice Maetzke, Svend J. Knak Jensen, Imre G. Csizmadia (2007) Putative mechanisms of peroxybicarbonate formation. Chem. Phys. Letters 448, 46-48
6. M. A. Sahai, B. Viskolcz, E. F. Pai and I.G.Csizmadia (2007) Quantifying the Intrinsic Effects of Two Point Mutation Models of Pro-Pro-Pro triamino acid diamide. A First-Principle Computational Study, J. Phys. Chem.-B 111,13135-13142.
7. M. A. Sahai, E. C. Alexopoulos, A. J. Lough, I.G. Csizmadia, E. F. Pai. (2008) Conformation and Structure of p-Bromobenzoyl-L-prolyl-prolyl-threonyl-prolinamide in the Crystalline State and Calculated in the Gas Phase. Acta Cryst. (In Preparation)
8. Michelle A. Sahai, Eftichia Alexopolous, Jojart Balazs, Bela Viskolcz, Emil F. Pai and Imre G. Csizmadia (2008) Structural Studies of the Pro-Pro-Thr-Pro Tetrapeptide Fragment of the Immunoglobulin-A Hinge Region. Chem. Eur. J. (In Preparation)