Items where authors include "Mulholland, AJ"

Article

Shannon, RJ orcid.org/0000-0002-1001-4065, Deeks, HM, Burfoot, E et al. (4 more authors) (2021) Exploring human-guided strategies for reaction network exploration: Interactive molecular dynamics in virtual reality as a tool for citizen scientists. The Journal of Chemical Physics, 155 (15). ISSN 0021-9606

Huggins, DJ, Biggin, PC, Dämgen, MA et al. (11 more authors) (2019) Biomolecular simulations: From dynamics and mechanisms to computational assays of biological activity. Wiley Interdisciplinary Reviews: Computational Molecular Science, 9 (3). e1393. ISSN 1759-0876

Byrne, MJ orcid.org/0000-0001-8111-4605, Lees, NR, Han, LC et al. (5 more authors) (2016) The Catalytic Mechanism of a Natural Diels-Alderase Revealed in Molecular Detail. Journal of the American Chemical Society, 138 (19). pp. 6095-6098. ISSN 0002-7863

Daniels, AD, Campeotto, I, van der Kamp, MW et al. (7 more authors) (2014) Reaction Mechanism of N-Acetylneuraminic Acid Lyase Revealed by a Combination of Crystallography, QM/MM Simulation, and Mutagenesis. ACS Chemical Biology, 9 (4). pp. 1025-1032. ISSN 1554-8929