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Results: 1-14 |
Results: 14
A matrix representation for the geometrical algorithm to search the conformational space (GASCOS) for flexible linear molecules
Authors: Santagata, LN Suvire, FD Enriz, RD
Citation: Ln. Santagata et al., A matrix representation for the geometrical algorithm to search the conformational space (GASCOS) for flexible linear molecules, J MOL ST-TH, 571, 2001, pp. 91-98
Stereoelectronic effects and dynamic chirality in ethyl nitrite (Et-ONO) computed at the HF and DFT levels of theory
Authors: Bombasaro, JA Suvire, FD Chasse, GA Zamarbide, GN Estrada, MR
Citation: Ja. Bombasaro et al., Stereoelectronic effects and dynamic chirality in ethyl nitrite (Et-ONO) computed at the HF and DFT levels of theory, J MOL ST-TH, 548, 2001, pp. 39-46
Aromatization within the putative bio-medical action mechanism of berberine and related cationic alkaloids with double iso-quinolinoid skeleton. A theoretical study
Authors: Freile, ML Masman, MF Suvire, FD Zacchino, SA Balzaretti, V Enriz, RD
Citation: Ml. Freile et al., Aromatization within the putative bio-medical action mechanism of berberine and related cationic alkaloids with double iso-quinolinoid skeleton. A theoretical study, J MOL ST-TH, 546, 2001, pp. 243-260
An ab initio exploratory study of side chain conformations for selected backbone conformations of N-acetyl-L-glutamine-N-methylamide
Authors: Tarditi, AM Klipfel, MW Rodriguez, AM Suvire, FD Chasse, GA Farkas, O Perczel, A Enriz, RD
Citation: Am. Tarditi et al., An ab initio exploratory study of side chain conformations for selected backbone conformations of N-acetyl-L-glutamine-N-methylamide, J MOL ST-TH, 545, 2001, pp. 29-47
A search for C-H center dot center dot center dot O type hydrogen bonds inLamivudine (3TC). An exploratory conformational and electronic analysis
Authors: Fidanza, NG Suvire, FD Sosa, GL Lobayan, RM Enriz, RD Peruchena, NM
Citation: Ng. Fidanza et al., A search for C-H center dot center dot center dot O type hydrogen bonds inLamivudine (3TC). An exploratory conformational and electronic analysis, J MOL ST-TH, 543, 2001, pp. 185-193
An exploratory study of side-chain-backbone interaction in selected conformations of N-acetyl-L-glutamate-N-methylamide. An ab initio study
Authors: Masman, MF Amaya, MG Rodriguez, AM Suvire, FD Chasse, GA Farkas, O Perczel, A Enriz, RD
Citation: Mf. Masman et al., An exploratory study of side-chain-backbone interaction in selected conformations of N-acetyl-L-glutamate-N-methylamide. An ab initio study, J MOL ST-TH, 543, 2001, pp. 203-222
Binding mechanism of RGD and its mimetics to receptor GPIIb/IIIa. A theoretical study
Authors: Suvire, FD Rodriguez, AM Mak, ML Papp, JG Enriz, RD
Citation: Fd. Suvire et al., Binding mechanism of RGD and its mimetics to receptor GPIIb/IIIa. A theoretical study, J MOL ST-TH, 540, 2001, pp. 257-270
1,2-Dipolar addition model for the cytoprotective activity of selected alpha,beta-unsaturated compounds with C = O functionality: an ab initio study
Authors: Zamora, MA Rodriguez, AM Suvire, FD Jauregui, EA Tomas-Vert, F Enriz, RD
Citation: Ma. Zamora et al., 1,2-Dipolar addition model for the cytoprotective activity of selected alpha,beta-unsaturated compounds with C = O functionality: an ab initio study, J MOL ST-TH, 538, 2001, pp. 225-233
Partially relaxed ring closure conditions for geometrical algorithm to search the conformational space for minimum energy conformations
Authors: Santagata, LN Suvire, FD Enriz, RD
Citation: Ln. Santagata et al., Partially relaxed ring closure conditions for geometrical algorithm to search the conformational space for minimum energy conformations, J MOL ST-TH, 536(2-3), 2001, pp. 173-188
An analytic ring closure condition for geometrical algorithm to search theconformational space
Authors: Santagata, LN Suvire, FD Enriz, RD
Citation: Ln. Santagata et al., An analytic ring closure condition for geometrical algorithm to search theconformational space, J MOL ST-TH, 507, 2000, pp. 89-95
Correlation of antifungal activity of selected alpha-substituted acetophenones with their keto-enol tautomerization energy
Authors: Rodriguez, AM Giannini, FA Suvire, FD Baldoni, HA Furlan, R Zacchino, SA Beke, G Matyus, P Enriz, RD Csizmadia, IG
Citation: Am. Rodriguez et al., Correlation of antifungal activity of selected alpha-substituted acetophenones with their keto-enol tautomerization energy, J MOL ST-TH, 504, 2000, pp. 35-50
A geometrical algorithm to search the conformational space (GASCOS) of flexible molecules
Authors: Santagata, LN Suvire, FD Enriz, RD Torday, LL Csizmadia, IG
Citation: Ln. Santagata et al., A geometrical algorithm to search the conformational space (GASCOS) of flexible molecules, THEOCHEM, 465(1), 1999, pp. 33-67
Exploratory molecular orbital calculations on the keto and enol forms of selected antifungals and those of side-chain substituted acetophenone model compounds
Authors: Rodriguez, AM Giannini, FA Baldoni, HA Suvire, FD Zacchino, S Enriz, RD Csaszar, P Csizmadia, IG
Citation: Am. Rodriguez et al., Exploratory molecular orbital calculations on the keto and enol forms of selected antifungals and those of side-chain substituted acetophenone model compounds, THEOCHEM, 463(3), 1999, pp. 283-303
A potentiometric and spectrophotometric study on acid-base equilibria in ethanol-aqueous solution of acetazolamide and related compounds
Authors: Chufan, EE Suvire, FD Enriz, RD Pedregosa, JC
Citation: Ee. Chufan et al., A potentiometric and spectrophotometric study on acid-base equilibria in ethanol-aqueous solution of acetazolamide and related compounds, TALANTA, 49(4), 1999, pp. 859-868
Risultati: 1-14 |