Mulholland, Adrian J.

Taking Ockham's razor to enzyme dynamics and catalysis

Glowacki, D. R., Harvey, J. N., & Mulholland, A. J. (2012) · Nature Chemistry

Protein Structure and DynamicsPhysical Organic Chemistry and Reaction Kinetics

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Biomolecular simulations: from dynamics and mechanisms to computational assays of biological activity

Huggins, D. J., Biggin, P. C., Dämgen, M. A., Essex, J. W., Harris, S. A., Henchman, R. H., Khalid, S., Kuzmanic, A., Laughton, C. A., Michel, J., et al. (2019) · WIREs Computational Molecular Science

Protein Structure and DynamicsAdvanced Physical and Chemical Molecular Interactions

Cited by 169

Biomolecular simulation and modelling: status, progress and prospects

van der Kamp, M. W., Shaw, K. E., Woods, C. J., & Mulholland, A. J. (2008) · Journal of The Royal Society Interface

Protein Structure and DynamicsAdvanced Physical and Chemical Molecular Interactions

Cited by 90

Electrostatic interactions influence diazabicyclooctane inhibitor potency against OXA-48-like β-lactamases

Hoff, J. F., Goudar, K. E., Calvopiña, K., Beer, M., Hinchliffe, P., Shaw, J. M., Tooke, C. L., Takebayashi, Y., Cadzow, A. F., Harmer, N. J., et al. (2025) · RSC Medicinal Chemistry

Antibiotic Resistance in BacteriaSynthesis of β-Lactam Compounds

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