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Biophysical Reviews|May 13, 2024
An overview on glycation: molecular mechanisms, impact on proteins, pathogenesis, and inhibitionAna Belén Uceda, Laura Mariño, Rodrigo Casasnovas, et al.Journal of the American Chemical Society|March 15, 2017
Unbinding Kinetics of a p38 MAP Kinase Type II Inhibitor from Metadynamics SimulationsRodrigo Casasnovas, Vittorio Limongelli, Pratyush Tiwary, et al.The Journal of Physical Chemistry. B|February 8, 2013
C-H activation in pyridoxal-5'-phosphate and pyridoxamine-5'-phosphate Schiff bases: effect of metal chelation. A computational studyRodrigo Casasnovas, Juan Frau, Joaquin Ortega-Castro, et al.Physical Chemistry Chemical Physics : PCCP|September 4, 2013
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 inhibitionRodrigo Casasnovas, Joaquín Ortega-Castro, Josefa Donoso, et al.Journal of Chemical Theory and Computation|March 27, 2019
Chasing the Full Free Energy Landscape of Neuroreceptor/Ligand Unbinding by Metadynamics SimulationsRiccardo Capelli, Anna Bochicchio, GiovanniMaria Piccini, et al.The Journal of Physical Chemistry. B|August 1, 2012
C-H activation in pyridoxal-5'-phosphate Schiff bases: the role of the imine nitrogen. A combined experimental and computational studyRodrigo Casasnovas, Miquel Adrover, Joaquin Ortega-Castro, et al.International Journal of Biological Macromolecules|February 11, 2019
Does glycation really distort the peptide α-helicity?Laura Mariño, Rodrigo Casasnovas, Rafael Ramis, et al.Journal of Chemical Information and Modeling|April 2, 2019
A Coarse-Grained Molecular Dynamics Approach to the Study of the Intrinsically Disordered Protein α-SynucleinRafael Ramis, Joaquín Ortega-Castro, Rodrigo Casasnovas, et al.Chemical Science|June 14, 2021
Unravelling the effect of N(ε)-(carboxyethyl)lysine on the conformation, dynamics and aggregation propensity of α-synucleinLaura Mariño, Rafael Ramis, Rodrigo Casasnovas, et al.Scientific Reports|July 15, 2015
Ortho-methylated 3-hydroxypyridines hinder hen egg-white lysozyme fibrillogenesisLaura Mariño, Kris Pauwels, Rodrigo Casasnovas, et al.Pageof 2