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Dalton Transactions (Cambridge, England : 2003)|July 15, 2016
Mapping the protein-binding sites for iridium(iii)-based CO-releasing moleculesMarco Caterino, Ariel A Petruk, Alessandro Vergara, et al.Biofactors (Oxford, England)|July 14, 2025
Proteins and Carbon Dioxide Struggle Against PeroxynitriteGiovanna De Simone, Alessandra di Masi, Grazia R Tundo, et al.Journal of Chemical Theory and Computation|June 9, 2016
Coarse-Grained Simulations of Heme Proteins: Validation and Study of Large Conformational TransitionsClaudia L Ramírez, Ariel Petruk, Mauro Bringas, et al.Journal of Chemical Information and Modeling|May 6, 2024
Assessment of Embedding Schemes in a Hybrid Machine Learning/Classical Potentials (ML/MM) ApproachJuan S Grassano, Ignacio Pickering, Adrian E Roitberg, et al.Protein Science : a Publication of the Protein Society|January 26, 2025
Insights into the flexibility of the domain-linking loop in actinobacterial coproheme decarboxylase through structures and molecular dynamics simulationsGaurav Patil, Diego Javier Alonso de Armiño, Yirui Guo, et al.Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|April 3, 2010
The first step of the dioxygenation reaction carried out by tryptophan dioxygenase and indoleamine 2,3-dioxygenase as revealed by quantum mechanical/molecular mechanical studiesLuciana Capece, Ariel Lewis-Ballester, Dipanwita Batabyal, et al.Biochemistry|August 19, 2011
When galectins recognize glycans: from biochemistry to physiology and back againSantiago Di Lella, Victoria Sundblad, Juan P Cerliani, et al.Journal of the American Chemical Society|November 6, 2009
Molecular basis for the electric field modulation of cytochrome C structure and functionPablo M De Biase, Damián Alvarez Paggi, Fabio Doctorovich, et al.Biochemistry|November 6, 2010
Heme pocket structural properties of a bacterial truncated hemoglobin from Thermobifida fuscaEnrica Droghetti, Francesco Paolo Nicoletti, Alessandra Bonamore, et al.Biochimica Et Biophysica Acta|March 9, 2013
Small ligand-globin interactions: reviewing lessons derived from computer simulationLuciana Capece, Leonardo Boechi, Laura L Perissinotti, et al.Pageof 6