Ilona Hudáky, Péter Hudáky, 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. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2004, v:25, n:12, pp:1522-1531 [Journal]
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-phenylalaninamide. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2001, v:22, n:7, pp:732-751 [Journal]
András Perczel, Attila G. Császár Toward direct determination of conformations of protein building units from multidimensional NMR experiments I. A theoretical case study of For-Gly-NH2 and For-L-Ala-NH2. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2000, v:21, n:10, pp:882-900 [Journal]
András Perczel, Anna K. Füzéry, Attila G. Császár Toward direct determination of conformations of protein building units from multidimensional NMR experiments. V. NMR chemical shielding analysis of N-formyl-serinamide, a model for polar side-chain containing peptides. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2003, v:24, n:10, pp:1157-1171 [Journal]
András Perczel, Ödön Farkas, Imre G. Csizmadia Peptide models XVI. The identification of selected HCO - L - SER - NH2 conformers via a systematic grid search using ab initio potential energy surfaces. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 1996, v:17, n:7, pp:821-834 [Journal]
András Perczel, Ödön Farkas, Imre Jákli, Igor A. Topol, Imre G. Csizmadia Peptide models. XXXIII. Extrapolation of low-level Hartree-Fock data of peptide conformation to large basis set SCF, MP2, DFT, and CCSD(T) results. The Ramachandran surface of alanine dipeptide computed at various levels of theory. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2003, v:24, n:9, pp:1026-1042 [Journal]
Péter Hudáky, András Perczel Toward direct determination of conformations of protein building units from multidimensional NMR experiments VI. Chemical shift analysis of his to gain 3D structure and protonation state information. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2005, v:26, n:13, pp:1307-1317 [Journal]