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Vol 94 (1-3) January-June, 2006
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Masthead, index and editorial page
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Review
Article
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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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PDF- 325KB |
| Regular
Papers |
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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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PDF- 177KB |
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Peptide Potential Energy Surfaces and Protein
Folding
Torrens, F.; Castellano, G.
pp. 27-47
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PDF- 249KB |
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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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PDF- 513KB |
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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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PDF- 262KB |
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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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PDF- 227KB |
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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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PDF- 234KB |
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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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PDF - 232KB |
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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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PDF- 251KB |
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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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PDF- 291KB |
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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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PDF- 205KB |
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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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PDF- 241KB |
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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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PDF- 207KB |
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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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PDF- 225KB |