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Koo JCP; Lam JSW; Salpietro SJ; Chasse Gregory Adam; Enriz RD; Torday László; Varró András; Papp Gyula:
How reliable could economic Hartree-Fock computations be in studying large, folded peptides? A comparative HF and DFT case study on N- and C-protected aspartic acid.
JOURNAL OF MOLECULAR STRUCTURE: THEOCHEM, 619 (1-3).
pp. 143-194.
ISSN 0166-1280
(2002)
Torday László; Penke Botond; Zamarbide G; Enriz RD; Papp Gyula:
An exploratory conformational analysis of 3-mercapto-propanamide and 2-methyl-3-mercapto-propanamide as well as their S-deprotonated conjugate basis: an ab initio study.
JOURNAL OF MOLECULAR STRUCTURE: THEOCHEM, 528 (1-3).
pp. 307-317.
ISSN 0166-1280
(2000)
Santagata LN; Suvire FD; Enriz RD; Torday László; Csizmadia Imre Gyula:
A geometrical algorithm to search the conformational space (GASCOS) of flexible molecules.
JOURNAL OF MOLECULAR STRUCTURE: THEOCHEM, 465 (1).
pp. 33-67.
ISSN 0166-1280
(1999)
Rodriguez AM; Baldoni HA; Suvire F; Vazquez RN; Zamarbide G; Enriz RD; Farkas Ödön; Perczel András; Torday László; McAllister MA; Papp Gyula; Csizmadia Imre Gyula:
Characteristics of Ramachandran maps of L-alanine diamides as computed by various molecular mechanics, semiempirical and ab initio MO methods. A search for primary standard of peptide conformational stability.
JOURNAL OF MOLECULAR STRUCTURE: THEOCHEM, 455 (2-3).
pp. 275-301.
ISSN 0166-1280
(1998)
