Imre Jákli

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2003

3 EE 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. Journal of Computational Chemistry 24(9): 1026-1042 (2003)

2001

2 EE 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. Journal of Computational Chemistry 22(7): 732-751 (2001)

2000

1 EE 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 . Journal of Computational Chemistry 21(8): 626-655 (2000)

2003
3	EE	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. Journal of Computational Chemistry 24(9): 1026-1042 (2003)
2001
2	EE	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. Journal of Computational Chemistry 22(7): 732-751 (2001)
2000
1	EE	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 . Journal of Computational Chemistry 21(8): 626-655 (2000)

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