Vol 94 (1-3) January-June, 2006




Masthead, index and editorial page


Review Article

Molecular Recognition And Binding Mechanism Of N-Aralkyl Substituted 2-Aminoindans And The Dopamine D2 Receptor. A Theoretical Study Andujar, S. A.;Garibotto, F. M.; Enriz, R. D.; Migliore de Angel, B.; Angel-Guío, J.; Charris, J. pp. 1-18
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Regular Papers

Electronic Factors Favouring The Cis Conformation In Proline Peptidic Bonds Rivail, J. L. ; Bouchy, A.; Loos P. F. pp. 19-26
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Peptide Potential Energy Surfaces and Protein Folding Torrens, F.; Castellano, G. pp. 27-47
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Ab Initio And DFT Search For Conformational Transition States Of N-Formyl-L-Prolinamide Enriz, R. D.; Morales, M.E.; Freile M.L.; Baldoni, H. A. pp. 49-65
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Effects Of Some Intramolecular Interactions On NMR J(13C,1H) Spin-Spin Coupling Constants. A DFT-B3LYP And Experimental Study Taurian, O. E.; Contreras, R. H.; De Kowalewski, D. G. pp. 67-79
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Theoretical Study Of The Outer Valence Photoelectron Spectra Of Methyl Nitrite And Fluoromethyl Nitrite Estrada, M. R.; Zamarbide, G. N.; Sánchez-Marín, J. pp. 81-94
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Electron Delocalization Interactions And NMR Spin-Spin Coupling Constants In Saturated Cage Compounds Contreras, R. H.; Díez, E.; Esteban, A.L.; Della, E. W.; Locher, I. J. pp. 95-104
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QSPR Modeling Of Metal Halides Lattice Enthalpies Castro, E. A.; Toropova, A. P.; Toropov, A. A.; D. Mukhamedjanova, V. pp. 105-112
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Structure-Activity Relationship Of Berberine And Derivatives Acting As Antifungal Compounds Enriz, R. D.; Freile, M. L. pp. 113-119
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A Preliminary Theoretical Study Of Antiepileptic Drugs Garro Martínez, J. C.; Andrada, M. F.; Estrada, M. R.; Zamarbide, G. N. pp. 121-127
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New Solubility Models Based On Descriptors Derived From The Detour Matrix Talevi, A.; Castro, E. A.; Bruno-Blanch, L.E. pp. 129-141
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Complexation Of Zn(II) By Catechol In Hydroxylic Solvents Sancho, M.I.; Blanco, S.E.; Ferretti, F.H.; Juber, A. H.; Castro, E. A. pp. 143-155
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A Study By Molecular Dynamics Simulation Of The Effect Of The Ionic Strength On The Properties Of A Model DPPC/DPPS Asymmetric Membrane López Cascales, J.J. pp. 157-168
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A Model Approach For Food Safety: The Assessment Of Interactions By Computing Kozmutza, C.; Varga, I.; Budaházy, I. pp. 169-177
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