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The Journal of Physical Chemistry Letters|November 21, 2019
An Allosteric Pathway in Copper, Zinc Superoxide Dismutase Unravels the Molecular Mechanism of the G93A Amyotrophic Lateral Sclerosis-Linked MutationPaulo C T Souza, Sebastian Thallmair, Siewert J Marrink, et al.Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|September 13, 2013
The role of solvent exclusion in the interaction between D124 and the metal site in SOD1: implications for ALSRaúl Mera-Adasme, Carl-Mikael Suomivuori, Angélica Fierro, et al.Chemosphere|November 15, 2022
Glyphosate mimics 17β-estradiol effects promoting estrogen receptor alpha activity in breast cancer cellsJuan P Muñoz, Rocío Araya-Osorio, Raúl Mera-Adasme, et al.The Journal of Organic Chemistry|October 1, 2014
Capricious selectivity in electrophilic deuteration of methylenedioxy substituted aromatic compoundsMonika Pohjoispää, Raúl Mera-Adasme, Dage Sundholm, et al.The Journal of Physical Chemistry. A|April 8, 2011
A computationally efficient and reliable bond order measureRaúl Mera-Adasme, Fernando Mendizábal, Claudio Olea-Azar, et al.Journal of Molecular Modeling|August 11, 2019
A comparison of computational methodologies for the structural modelling of biologically relevant zinc complexesGökcen Savasci, Merlys Borges-Martínez, Raphael J F Berger, et al.The Journal of Physical Chemistry Letters|November 14, 2024
Aminocarbonyl Fluorophores with a Strong Emissive Inverted SolvatochromismSimone Morales, Matías Vidal, Fabián Martínez-Gómez, et al.Inorganic Chemistry|May 2, 2012
Computational studies of the metal-binding site of the wild-type and the H46R mutant of the copper, zinc superoxide dismutaseRaúl Mera-Adasme, Fernando Mendizábal, Mauricio Gonzalez, et al.Journal of Chemical Theory and Computation|March 14, 2017
Nuclear Magnetic Shieldings of Stacked Aromatic and Antiaromatic MoleculesDage Sundholm, Markus Rauhalahti, Nergiz Özcan, et al.Journal of Computational Chemistry|January 11, 2025
goChem: A Composable Library for Multi-Scale Computational Chemistry Data AnalysisMoisés Domínguez, Verónica A Jiménez, Gökcen Savasci, et al.Pageof 3