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A Coarse-Grained Molecular Dynamics Approach to the Study of the Intrinsically Disordered Protein α-Synuclein

artículo científico publicado en 2019

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

Chasing the Full Free Energy Landscape of Neuroreceptor/Ligand Unbinding by Metadynamics Simulations

artículo científico publicado en 2019

Does glycation really distort the peptide α-helicity?

scientific article published on 07 February 2019

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

artículo científico publicado en 2012

How Does Pyridoxamine Inhibit the Formation of Advanced Glycation End Products? The Role of Its Primary Antioxidant Activity

artículo científico publicado en 2019

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

artículo científico publicado en 2016

New insights into human farnesyl pyrophosphate synthase inhibition by second-generation bisphosphonate drugs

artículo científico publicado en 2017

Ortho-methylated 3-hydroxypyridines hinder hen egg-white lysozyme fibrillogenesis.

artículo científico publicado en 2015

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

Unbinding Kinetics of a p38 MAP Kinase Type II Inhibitor from Metadynamics Simulations

artículo científico publicado en 2017

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