Imre Jákli

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 et al. · Journal of Computational Chemistry · 2003 · 57 citations

Peptide models XXIV: An ab initio study on N-formyl-L-prolinamide with trans peptide bond. The existence or non-existence of αL and ϵL conformations

Héctor A. Baldoni, Ana M. Rodrı́guez, Miguel A. Zamora et al. · Journal of Molecular Structure THEOCHEM · 1999 · 48 citations · Full text

Engineering, Biochemistry, Trans Peptide Bond +10

Peptide models XXII. A conformational model for aromatic amino acid residues in proteins. A comprehensive analysis of all the RHF/6–31+G* conformers of For-L-Phe–NH2

Imre Jákli, András Perczel, Ödön Farkas et al. · Journal of Molecular Structure THEOCHEM · 1998 · 45 citations

Protein Chemistry, Biochemistry, Protein Folding +11

Intrinsically Stable Secondary Structure Elements of Proteins: A Comprehensive Study of Folding Units of Proteins by Computation and by Analysis of Data Determined by X‐ray Crystallography

András Perczel, Imre Jákli, Imre G. Csizmadia · Chemistry - A European Journal · 2003 · 34 citations

Protein Assembly, Biomolecular Structure Prediction, Structural Bioinformatics +22

Relative Stability of Major Types of <i>β</i>‐Turns as a Function of Amino Acid Composition: A Study Based on Ab Initio Energetic and Natural Abundance Data

András Perczel, Imre Jákli, Michael A. McAllister et al. · Chemistry - A European Journal · 2003 · 22 citations