Publications

2006 Péter Hudáky and András Perczel: A self-stabilized model of the chymotrypsin catalytic pocket. The energy profile of the overall catalytic cycle Proteins: Struct. Funct. Bioinf. (2006) 62 (3): 749-759 [abstract] 2005 Péter Hudáky and András Perczel: Toward direct determination of conformations of protein building units from multidimensional NMR experiments VI. NMR chemical shielding analysis of N-formyl-histidinamide, an amino acid with ionizable side chain J. Comp. Chem.,  (2005)  26 (13): 1307-1317 [abstract] 2004 Ilona Hudáky, Péter Hudáky and András Perczel: Solvation model induced structural changes in peptides. A quantum chemical study on Ramachandran surfaces and conformers of alanine diamide using the polarizable continuum model J. Comp. Chem. (2004) 25(12):1522-1531. [abstract] András Perczel, Péter Hudáky, Anna K. Füzéry and Imre G. Csizmadia: Stability issues of covalently and noncovalently bonded peptide subunits J. Comp. Chem. (2004) 25(8):1084-1100. [abstract] Péter Hudáky and András Perczel: Conformation dependence of pKa: ab initio and DFT investigation of histidine J. Phys. Chem. A (2004) 108(29):6195-6205. [abstract] [supporting info] Péter Hudáky and András Perczel: Peptide models XLII. Ab initio study on conformational changes of N-formyl--histidinamide caused by protonation or deprotonation of its side chain. J. Mol. Struct. (THEOCHEM) (2004) 675(1-3): 117-127. [abstract] András Láng, Anna K. Füzéry, Tamás Beke, Péter Hudáky and András Perczel: Potential Energy Curves, Surfaces and Hypersurfaces. A model to follow and understand the conformational transformations in amino acids. J. Mol. Struct. (THEOCHEM) (2004) 675(1-3): 163-175. [abstract] 2003 Bágyi I, Balogh B, Czajlik A, Éliás O, Gáspári Z, Gergely V, Hudáky I, Hudáky P, Kalászi A, Károlyházy L, Keserű K, Kiss R, Krajsovszky G, Láng B, Nagy T, Rácz A, Szentesi A, Tabi T, Tapolcsányi P, Vaik J, Koo JCP, Chass GA, Farkas O, Perczel A, Mátyus P: Generation and analysis of the conformational potential energy surfaces of N-acetyl-N-methyl-L-alanine-N '-methylamide. An exploratory ab initio study J. Mol. Struct. (THEOCHEM) (2003) 625 121-136 2002 Péter Hudáky, Tamás Beke and András Perczel: Side-chain conformational potential energy surfaces associated with all major backbone folds of neutral tautomers of N- and C-protected L-histidine J. Mol. Struct. (THEOCHEM) (2002) 583(1-3), 117-135 [abstract] Péter Hudáky, Ilona Hudáky and András Perczel: Protonated and deprotonated N-Formyl-L-histidinamide:an ab-initio study on side-chain potential energy surfaces of all major backbone conformers J. Mol. Struct. (THEOCHEM) (2002) 583(1-3), 199-213 [abstract] 2001 Péter Hudáky, Imre Jákli, Attila G. Császár, András Perczel: Peptide models XXXI. Conformational properties of hydrophobic residues shaping the core of proteins. An ab initio study of N-formyl-l-valinamide and N-formyl-L-phenyalaninamide. J. Comp. Chem. (2001) 22: 732-751. [abstract] 2000 András Perczel, Péter Hudáky and Imre G. Csizmadia: Deciphering factors which determine the Ramachandran surface of Peptides. The aplication of isodesmic surfaces deltaEID(phi,psi) to analyze the contribution of rotating moieties to the shape of potential energy surfaces. J. Mol. Struct. (THEOCHEM)(2000) 500, 59-96. [abstract] 1999 Péter Hudáky, Gyula Kaslik, István Venekei and László Gráf: The differential specificity of chymotrypsin A and B is determined by amino acid 226. Eur. J. Biochem. (1999) 259, 528-533. [abstract] 1996 Péter Hudáky, András Perczel, Imre G. Csizmadia: Amino acid conformational analyses of proteins (ACAP program). J. Mol. Struct. (THEOCHEM)(1996) 362, 263-273. [abstract] 1991 György Inzelt, Kinga Martinusz, Pál Jedlovszky and Péter Hudáky: Application of quartz crystal microbalance in the study of ion and solvent sorption on polymerfilm electrodes I. Effect of the nature of counterions in the sorption of the solvent on poly(tetracyanoquinodimethane) films. Acta Chimica Hungarica (1991) 128 (6) 797-805