G. Endrédi

Peptide models XV. The effect of basis set size increase and electron correlation on selected minima of the ab initio 2D-Ramachandran map of For-Gly-NH2 and For-l-Ala-NH2

G. Endrédi, András Perczel, Ödön Farkas et al. · Journal of Molecular Structure THEOCHEM · 1997 · 68 citations

Natural Sciences, Biochemistry, Computational Chemistry +16

Peptide models VII The ending of the right-handed helices in oligopeptides [For-(Ala)n-NH2 for 2 ⩽ n ⩽ 4] and in proteins

András Perczel, G. Endrédi, Michael A. McAllister et al. · Journal of Molecular Structure THEOCHEM · 1995 · 25 citations

Life Sciences, Biochemistry, Molecular Biology +15

Peptide models XI. Substitution effects on peptide chains. The magnitude of side-chain–backbone interactions in oligopeptides HCO-(NHCHRCO)<i>n</i>-NH₂ for R=CH₃. An ab initio study

Michael A. McAllister, G. Endrédi, J. Ladik et al. · Canadian Journal of Chemistry · 1995 · 25 citations

Natural Sciences, Biochemistry, Chemistry +15

Peptide models 8. The use of a modified Romberg formalism for the extrapolation of molecular properties from oligomers to polymers. Polyalanine diamide in its “extended like” or (βL)n or (C5)n conformation

G. Endrédi, Christoph-Maria Liegener, Michael A. McAllister et al. · Journal of Molecular Structure THEOCHEM · 1994 · 18 citations

Natural Sciences, Biochemistry, Chemistry +12

Peptide models XII Topological features of molecular mechanics and ab-initio 8D-Ramachandran maps. Conformational data for Ac-(l-Ala)4-NHMe and For-(l-Ala)4-NH2

G. Endrédi, Michael A. McAllister, Ödön Farkas et al. · Journal of Molecular Structure THEOCHEM · 1995 · 15 citations

Natural Sciences, Biochemistry, Chemistry +17