QM/MM modeling of compound I active species in cytochrome P450, cytochrome C peroxidase, and ascorbate peroxidase. - Jeremy N. Harvey; Christine M. Bathelt; Adrian J. Mulholland (J. Comput. Chem., 2006)

Adding Value to Crystallographically-Derived Knowledge Bases. - Natalie Fey; Stephanie E. Harris; Jeremy N. Harvey; A. Guy Orpen (J. Chem. Inf. Model., 2006)

Design of Optimal Laser Fields to Control Vibrational Excitations in Carboxy-myoglobin. - Harjinder Singh; Sitansh Sharma; Praveen Kumar; Jeremy N. Harvey; Gabriel G. Balint-Kurti (ICCS (2), 2008)

Comment on "A stationary-wave model of enzyme catalysis" by Carlo Canepa. - Richard Lonsdale; Jeremy N. Harvey; Frederick R. Manby; Adrian J. Mulholland (J. Comput. Chem., 2011)

Divide and Conquer. Pocket-Opening Mixed-Solvent Simulations in the Perspective of Docking Virtual Screening Applications for Drug Discovery. - Francesc Sabanés Zariquiey; Edgar Jacoby; Ann Vos; Herman W. T. van Vlijmen; Gary Tresadern; Jeremy N. Harvey (J. Chem. Inf. Model., 2022)

An automated method for graph-based chemical space exploration and transition state finding. - Pablo Ramos-Sánchez; Jeremy N. Harvey; José A. Gámez 002 (J. Comput. Chem., 2023)