| 1 |
Theoretical and Experimental Study of Inclusion Complexes of beta-Cyclodextrins with Chalcone and 2',4'-Dihydroxychalcone
Sancho MI, Andujar S, Porasso RD, Enriz RD
Journal of Physical Chemistry B, 120(12), 3000, 2016 |
| 2 |
Structural and Thermodynamic Characteristics of the Exosite Binding Pocket on the Human BACE1: A Molecular Modeling Approach
Gutierrez LJ, Enriz RD, Baldoni HA
Journal of Physical Chemistry A, 114(37), 10261, 2010 |
| 3 |
Ab Initio and DFT Study of the Conformational Energy Hypersurface of Cyclic Gly-Gly-Gly
Tosso RD, Zamora MA, Suvire FD, Enriz RD
Journal of Physical Chemistry A, 113(40), 10818, 2009 |
| 4 |
In Silico Study of Full-Length Amyloid beta 1-42 Tri- and Penta-Oligomers in Solution
Masman MF, Eisel ULM, Csizmadia IG, Penke B, Enriz RD, Marrink SJ, Luiten PGM
Journal of Physical Chemistry B, 113(34), 11710, 2009 |
| 5 |
A comprehensive conformational analysis of bullacin B, a potent inhibitor of complex I. Molecular dynamics simulations and ab initio calculations
Bombasaro JA, Masman MF, Santagata LN, Freile ML, Rodriguez AM, Enriz RD
Journal of Physical Chemistry A, 112(32), 7426, 2008 |
| 6 |
An exhaustive conformational analysis of N-acetyl-L-cysteine-N-methylamide. Identification of the complete set of interconversion pathways on the ab initio and DFT potential energy hypersurface
Bombasaro JA, Zamora MA, Baldoni HA, Enriz RD
Journal of Physical Chemistry A, 109(5), 874, 2005 |
| 7 |
Exploration of the full conformational space of N-acetyl-L-glutamine-N-methylamide. An ab initio and density functional theory study
Klipfel MW, Zamora MA, Rodriguez AM, Fidanza NG, Enriz RD, Csizmadia IG
Journal of Physical Chemistry A, 107(25), 5079, 2003 |
