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2010 – 2019
- 2017
[j5]Dóra Papp
, Petra Rovó, Imre Jákli, Attila G. Császár, András Perczel:
Four faces of the interaction between ions and aromatic rings. J. Comput. Chem. 38(20): 1762-1773 (2017)- [j4]Dóra K. Menyhárd, Ilona Hudáky, Imre Jákli, György Juhász, András Perczel:
Predictable Conformational Diversity in Foldamers of Sugar Amino Acids. J. Chem. Inf. Model. 57(4): 757-768 (2017)
2000 – 2009
- 2003
- [j3]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. J. Comput. Chem. 24(9): 1026-1042 (2003) - 2001
- [j2]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. J. Comput. Chem. 22(7): 732-751 (2001) - 2000
- [j1]Imre Jákli, András Perczel, Ödön Farkas, Attila G. Császár, Carlos P. Sosa, Imre G. Csizmadia:
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 . J. Comput. Chem. 21(8): 626-655 (2000)
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