Peptide models XXIII. Conformational model for polar side-chain containing amino acid residues: A comprehensive analysis of RHF, DFT, and MP2 properties of HCO-L-SER-NH2 . - Imre Jákli; András Perczel; Ödön Farkas; Attila G. Császár; Carlos P. Sosa; Imre G. Csizmadia (J. Comput. Chem., 2000)

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. - Péter Hudáky; Imre Jákli; Attila G. Császár; András Perczel (J. Comput. Chem., 2001)

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. - András Perczel; Ödön Farkas; Imre Jákli; Igor A. Topol; Imre G. Csizmadia (J. Comput. Chem., 2003)

Four faces of the interaction between ions and aromatic rings. - Dóra Papp; Petra Rovó; Imre Jákli; Attila G. Császár; András Perczel (J. Comput. Chem., 2017)

Predictable Conformational Diversity in Foldamers of Sugar Amino Acids. - Dóra K. Menyhárd; Ilona Hudáky; Imre Jákli; György Juhász; András Perczel (J. Chem. Inf. Model., 2017)