Editorial: Challenges in Computational Enzymology

Front Chem. 2019 Oct 22:7:690. doi: 10.3389/fchem.2019.00690. eCollection 2019.

Authors

Vicente Moliner¹, Fahmi Himo²

Affiliations

¹ Departamento de Química Física y Analítica, Universidad Jaume I, Castellón de la Plana, Spain.
² Arrhenius Laboratory, Department of Organic Chemistry, Stockholm University, Stockholm, Sweden.

No abstract available

Keywords: DFT; QM/MM; computational chemistry; enzyme catalysis; molecular dynamics; molecular modeling.

Publication types

Editorial