List of works - Juan Frau

A DFT study of the carboxymethyl-phosphatidylethanolamine formation from glyoxal and phosphatidylethanolamine surface. Comparison with the formation of N(ε)-(carboxymethyl)lysine from glyoxal and L-lysine

scientific article published on 01 March 2015

A Molecular Electron Density Theory Study of the Chemical Reactivity of Cis- and Trans-Resveratrol

scientific article published in December 2016

A comparative study of the chemical reactivity of pyridoxamine, Ac-Phe-Lys and Ac-Cys with various glycating carbonyl compounds.

scientific article published on 15 May 2008

Alkaline hydrolysis of cefotaxime. A HPLC and 1H NMR study

scientific article published on 01 March 1994

C-H activation in pyridoxal-5'-phosphate Schiff bases: the role of the imine nitrogen. A combined experimental and computational study

scientific article published on 27 August 2012

Chemical Reactivity Theory Study of Advanced Glycation Endproduct Inhibitors.

scientific article published on 2 February 2017

Chemical Reactivity of Penicillins and Cephalosporins. Intramolecular Involvement of the Acyl-Amido Side Chain

Conceptual DFT-Based Computational Peptidology of Marine Natural Compounds: Discodermins A-H

scientific article published on 11 September 2020

Does glycation really distort the peptide α-helicity?

scientific article published on 07 February 2019

Electrostatic and structural similarity of classical and non-classical lactam compounds

scientific article published on 01 September 2001

High- and low-spin Fe(III) complexes of various AGE inhibitors

scientific article published on 13 March 2012

Human farnesyl pyrophosphate synthase inhibition by nitrogen bisphosphonates: a 3D-QSAR study

scientific article published on 24 August 2013

Hydrolysis of a chlorambucil analogue. A DFT study

scientific article published on 01 March 2011

Interactions of fatty acids with phosphatidylethanolamine membranes: X-ray diffraction and molecular dynamics studies

scientific article

Isodesmic reaction for accurate theoretical pKa calculations of amino acids and peptides

scientific article published on 7 April 2016

Mechanistic insights into protonation state as a critical factor in hFPPS enzyme inhibition

scientific article published on 17 June 2015

Molecular modeling and chemical reactivity of sanfetrinem and derivatives

scientific article published on 01 May 2005

Molecular modeling of Henry-Michaelis and acyl-enzyme complexes between imipenem and Enterobacter cloacae P99 beta-lactamase