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Lista de obras de 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

artículo científico publicado en 2015

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

artículo científico publicado en 2016

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

artículo científico publicado en 2008

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

artículo científico publicado en 1994

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

artículo científico publicado en 2012

Chemical Reactivity Theory Study of Advanced Glycation Endproduct Inhibitors.

artículo científico publicado en 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

artículo científico publicado en 2012

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

artículo científico publicado en 2013

Hydrolysis of a chlorambucil analogue. A DFT study

artículo científico publicado en 2011

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

artículo científico publicado en 2009

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

artículo científico publicado en 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

artículo científico publicado en 2005

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

artículo científico publicado en 2005

Role of beta-lactam carboxyl group on binding of penicillins and cephalosporins to class C beta-lactamases.

artículo científico publicado en 2003

The pyridoxamine action on Amadori compounds: A reexamination of its scavenging capacity and chelating effect.

artículo científico publicado en 2008

Theoretical calculations of stability constants and pKa values of metal complexes in solution: application to pyridoxamine-copper(II) complexes and their biological implications in AGE inhibition

artículo científico publicado en 2013

Virtual Screening of Marine Natural Compounds by Means of Chemoinformatics and CDFT-Based Computational Peptidology

scientific article published on 20 September 2020