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Journal of Chemical Information and Modeling|April 24, 2025
Aliphatic Polyester Recognition and Reactivity at the Active Cleft of a Fungal CutinasePietro Vidossich, Madushanka Manathunga, Andreas W Götz, et al.The Journal of Physical Chemistry. B|March 30, 2010
On the role of water in peroxidase catalysis: a theoretical investigation of HRP compound I formationPietro Vidossich, Giacomo Fiorin, Mercedes Alfonso-Prieto, et al.The Journal of Physical Chemistry. B|February 27, 2014
Binding of the antitubercular pro-drug isoniazid in the heme access channel of catalase-peroxidase (KatG). A combined structural and metadynamics investigationPietro Vidossich, Peter C Loewen, Xavi Carpena, et al.Archives of Biochemistry and Biophysics|May 8, 2010
The dynamic role of distal side residues in heme hydroperoxidase catalysis. Interplay between X-ray crystallography and ab initio MD simulationsPietro Vidossich, Mercedes Alfonso-Prieto, Xavi Carpena, et al.Journal of the American Chemical Society|October 12, 2007
Versatility of the electronic structure of compound I in catalase-peroxidasesPietro Vidossich, Mercedes Alfonso-Prieto, Xavi Carpena, et al.Journal of Chemical Information and Modeling|June 9, 2022
Alchemical Free Energy Calculations to Investigate Protein-Protein Interactions: the Case of the CDC42/PAK1 ComplexMaria Antonietta La Serra, Pietro Vidossich, Isabella Acquistapace, et al.Chemical Science|October 31, 2017
Design of an enantioselective artificial metallo-hydratase enzyme containing an unnatural metal-binding amino acidIvana Drienovská, Lur Alonso-Cotchico, Pietro Vidossich, et al.Nature Communications|May 18, 2022
Structural basis for inhibition of the Cation-chloride cotransporter NKCC1 by the diuretic drug bumetanideYongxiang Zhao, Kasturi Roy, Pietro Vidossich, et al.Angewandte Chemie (International Ed. in English)|December 22, 2017
Directed Evolution of an Artificial Imine ReductaseMartina Hestericová, Tillman Heinisch, Lur Alonso-Cotchico, et al.The EMBO Journal|January 28, 2025
Structural basis for human NKCC1 inhibition by loop diuretic drugsYongxiang Zhao, Pietro Vidossich, Biff Forbush, et al.Pageof 6