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Works (4)

Theoretical Study of the Mechanism of Exemestane Hydroxylation Catalyzed by Human Aromatase Enzyme

Journal of Physical Chemistry B
2016 | Journal article
EID:

2-s2.0-84964341354

Contributors: Viciano, I.; Martí, S.
Source: Self-asserted source
Ignacio Viciano via Scopus - Elsevier

Joint Use of bonding evolution theory and QM/MM hybrid method for understanding the hydrogen abstraction mechanism via cytochrome P450 aromatase

Journal of Chemical Theory and Computation
2015 | Journal article
EID:

2-s2.0-84927704197

Contributors: Viciano, I.; González-Navarrete, P.; Andrés, J.; Martí, S.
Source: Self-asserted source
Ignacio Viciano via Scopus - Elsevier

QM/MM modeling of the hydroxylation of the androstenedione substrate catalyzed by cytochrome P450 aromatase (CYP19A1)

Journal of Computational Chemistry
2015 | Journal article
EID:

2-s2.0-84937521419

Contributors: Viciano, I.; Castillo, R.; Martí, S.
Source: Self-asserted source
Ignacio Viciano via Scopus - Elsevier

New insight into the electronic structure of iron(IV)-oxo porphyrin compound I. A quantum chemical topological analysis

Journal of Computational Chemistry
2013 | Journal article
EID:

2-s2.0-84874651691

Contributors: Viciano, I.; Berski, S.; Martí, S.; Andrés, J.
Source: Self-asserted source
Ignacio Viciano via Scopus - Elsevier