A geometrical algorithm to search the conformational space (GASCOS) of flexible molecules
Santagata, L.N., Suvire, F.D., Enriz, R.D., Torday, L.L., Csizmadia, I.G.
Published in Journal of molecular structure. Theochem (31.05.1999)
Published in Journal of molecular structure. Theochem (31.05.1999)
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Journal Article
Molecular recognition and binding mechanism of N-alkyl-benzyltetrahydroisoquinolines to the D 1 dopamine receptor. A computational approach
Suvire, F.D, Cabedo, N, Chagraoui, A, Zamora, M.A, Cortes, D, Enriz, R.D
Published in Journal of molecular structure. Theochem (29.12.2003)
Published in Journal of molecular structure. Theochem (29.12.2003)
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Journal Article
Molecular recognition and binding mechanism of N-alkyl-benzyltetrahydroisoquinolines to the D1 dopamine receptor. A computational approach
Suvire, F.D, Cabedo, N, Chagraoui, A, Zamora, M.A, Cortes, D, Enriz, R.D
Published in Journal of molecular structure. Theochem (29.12.2003)
Published in Journal of molecular structure. Theochem (29.12.2003)
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Journal Article
Conformational study of N-alkyl-benzyltetrahydroisoquinolines alkaloid
Suvire, F.D., Andreu, I., Bermejo, A., Zamora, M.A., Cortes, D., Enriz, R.D.
Published in Journal of molecular structure. Theochem (29.12.2003)
Published in Journal of molecular structure. Theochem (29.12.2003)
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Journal Article
An analytic ring closure condition for geometrical algorithm to search the conformational space
Santagata, L.N., Suvire, F.D., Enriz, R.D.
Published in Journal of molecular structure. Theochem (24.07.2000)
Published in Journal of molecular structure. Theochem (24.07.2000)
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Journal Article
An ab initio exploratory study of side chain conformations for selected backbone conformations of N -acetyl- l -glutamine- N -methylamide
Tarditi, A.M., Klipfel, M.W., Rodriguez, A.M., Suvire, F.D., Chasse, G.A., Farkas, O., Perczel, A., Enriz, R.D.
Published in Journal of molecular structure. Theochem (09.07.2001)
Published in Journal of molecular structure. Theochem (09.07.2001)
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Journal Article
An exploratory study of side-chain–backbone interaction in selected conformations of N -acetyl- l -glutamate- N -methylamide. An ab initio study
Masman, M.F., Amaya, M.G., Rodrı́guez, A.M., Suvire, F.D., Chasse, G.A., Farkas, O., Perczel, A., Enriz, R.D.
Published in Journal of molecular structure. Theochem (22.06.2001)
Published in Journal of molecular structure. Theochem (22.06.2001)
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Journal Article
Binding mechanism of RGD and its mimetics to receptor GPIIb/IIIa. A theoretical study
Suvire, F.D, Rodrı́guez, A.M, Mak, M.L, Papp, J.Gy, Enriz, R.D
Published in Journal of molecular structure. Theochem (04.05.2001)
Published in Journal of molecular structure. Theochem (04.05.2001)
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Journal Article
Exploratory molecular orbital calculations on the keto and enol forms of selected antifungals and those of side-chain substituted acetophenone model compounds
Rodrı́guez, A.M, Giannini, F.A, Baldoni, H.A, Suvire, F.D, Zacchino, S, Enriz, R.D, Csaszar, P, Csizmadia, I.G
Published in Journal of molecular structure. Theochem (03.05.1999)
Published in Journal of molecular structure. Theochem (03.05.1999)
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Journal Article
Aromatization within the putative bio-medical action mechanism of berberine and related cationic alkaloids with double iso-quinolinoid skeleton. A theoretical study
Freile, M.L., Masman, M.F., Suvire, F.D., Zacchino, S.A., Balzaretti, V., Enriz, R.D.
Published in Journal of molecular structure. Theochem (16.07.2001)
Published in Journal of molecular structure. Theochem (16.07.2001)
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Journal Article
1,2-Dipolar addition model for the cytoprotective activity of selected α,β-unsaturated compounds with CO functionality: an ab initio study
Zamora, M.A, Rodrı́guez, A.M, Suvire, F.D, Jáuregui, E.A, Tomás-Vert, F, Enriz, R.D
Published in Journal of molecular structure. Theochem (30.03.2001)
Published in Journal of molecular structure. Theochem (30.03.2001)
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Journal Article
Correlation of antifungal activity of selected α-substituted acetophenones with their keto–enol tautomerization energy
Rodrı́guez, A.M., Giannini, F.A., Suvire, F.D., Baldoni, H.A., Furlán, R., Zacchino, S.A., Beke, G., Mátyus, P., Enriz, R.D., Csizmadia, I.G.
Published in Journal of molecular structure. Theochem (12.06.2000)
Published in Journal of molecular structure. Theochem (12.06.2000)
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