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Results: 1-9 |
Results: 9
Vectorization of the generalized Born model for molecular dynamics on shared-memory computers
Authors: Sosa, CP Hewitt, T Lee, MR Case, DA
Citation: Cp. Sosa et al., Vectorization of the generalized Born model for molecular dynamics on shared-memory computers, J MOL ST-TH, 549, 2001, pp. 193-201
Peptide and protein folding
Authors: Chasse, GA Rodriguez, AM Mak, ML Deretey, E Perczel, A Sosa, CP Enriz, RD Csizmadia, IG
Citation: Ga. Chasse et al., Peptide and protein folding, J MOL ST-TH, 537, 2001, pp. 319-361
Dimesitylketone O-oxide: Spectroscopic characterization, conformation, andreaction modes: OH formation and OH capture
Authors: Sander, W Block, K Kappert, W Kirschfeld, A Muthusamy, S Schroeder, K Sosa, CP Kraka, E Cremer, D
Citation: W. Sander et al., Dimesitylketone O-oxide: Spectroscopic characterization, conformation, andreaction modes: OH formation and OH capture, J AM CHEM S, 123(11), 2001, pp. 2618-2627
Ab initio conformational study of two Lewis X analogues
Authors: Csonka, GI Sosa, CP
Citation: Gi. Csonka et Cp. Sosa, Ab initio conformational study of two Lewis X analogues, J PHYS CH A, 104(30), 2000, pp. 7113-7122
Ab initio study of lowest-energy conformers of Lewis x (Le(x)) trisaccharide
Authors: Csonka, GI Sosa, CP Csizmadia, IG
Citation: Gi. Csonka et al., Ab initio study of lowest-energy conformers of Lewis x (Le(x)) trisaccharide, J PHYS CH A, 104(15), 2000, pp. 3381-3390
Ab initio quantum chemistry on a ccNUMA architecture using openMP. III
Authors: Sosa, CP Scalmani, G Gomperts, R Frisch, MJ
Citation: Cp. Sosa et al., Ab initio quantum chemistry on a ccNUMA architecture using openMP. III, PARALLEL C, 26(7-8), 2000, pp. 843-856
Peptide models XXVII. An exploratory ab initio study on the 21(st) amino acid side-chain conformations of N-formyl-L-selenocysteinamide (For-L-Sec-NH2) and N-acetyl-L-selenocysteine-N-methylamide (Ac-L-Sec-NHMe) in their gamma(L) backbone conformation
Authors: Vank, JC Sosa, CP Perczel, A Csizmadia, IG
Citation: Jc. Vank et al., Peptide models XXVII. An exploratory ab initio study on the 21(st) amino acid side-chain conformations of N-formyl-L-selenocysteinamide (For-L-Sec-NH2) and N-acetyl-L-selenocysteine-N-methylamide (Ac-L-Sec-NHMe) in their gamma(L) backbone conformation, CAN J CHEM, 78(3), 2000, pp. 395-408
Peptide models - XXIV: An ab initio study on N-formyl-L-prolinamide with trans peptide bond. The existence or non-existence of alpha(L) and epsilon(L) conformations
Authors: Baldoni, HA Rodriguez, AM Zamora, MA Zamarbide, GN Enriz, RD Farkas, O Csaszar, P Torday, LL Sosa, CP Jakli, I Perzel, A Papp, JG Hollosi, M Csizmadia, IG
Citation: Ha. Baldoni et al., Peptide models - XXIV: An ab initio study on N-formyl-L-prolinamide with trans peptide bond. The existence or non-existence of alpha(L) and epsilon(L) conformations, THEOCHEM, 465(1), 1999, pp. 79-91
Conformational potential energy curves of acetophenone and alpha-substituted acetophenones
Authors: Rodriguez, AM Giannini, FA Baldoni, HA Santagata, LN Zamora, MA Zacchino, S Sosa, CP Enriz, RD Csizmadia, IG
Citation: Am. Rodriguez et al., Conformational potential energy curves of acetophenone and alpha-substituted acetophenones, THEOCHEM, 463(3), 1999, pp. 271-281
Risultati: 1-9 |