title: On the role of water in peroxidase catalysis: a theoretical investigation of HRP compound I formation.
authors.affiliation: Laboratori de Simulació Computacional i Modelització, Parc Científic de Barcelona, Josep Samitier 1-5, 08028 Barcelona, Spain.
authors.forename: Pietro
authors.initials: P
authors.lastname: Vidossich
authors.forename: Giacomo
authors.initials: G
authors.lastname: Fiorin
authors.forename: Mercedes
authors.initials: M
authors.lastname: Alfonso-Prieto
authors.forename: Etienne
authors.initials: E
authors.lastname: Derat
authors.forename: Sason
authors.initials: S
authors.lastname: Shaik
authors.forename: Carme
authors.initials: C
authors.lastname: Rovira