Computational tools for enzyme engineering: bridging the gap between enzymologists and expert simulation

Status	Finished
Effective start/end date	15/07/14 → 15/06/16
Links	http://gtr.rcuk.ac.uk/projects?ref=BB/L018756/1

Access Project

Electrostatic interactions define nacubactam potency against OXA-48-like β-lactamases
Hoff, J. F., Goudar, K. E., Beer, M., Hinchliffe, P., Shaw, J. M., Tooke, C. L., Takebayashi, Y., Mulholland, A. J., Schofield, C. J. & Spencer, J., 30 Oct 2024, bioRxiv.org.
Research output: Working paper › Preprint

Open Access
Cyclic boronates as versatile scaffolds for KPC-2 β-lactamase inhibition
Tooke, C. L., Hinchliffe, P., Kranjnc, A., Mulholland, A. J., Brem, J., Schofield, C. J. & Spencer, J., 10 Jan 2020, In: RSC medicinal chemistry. 11, 4, p. 491-496 6 p.
Research output: Contribution to journal › Article (Academic Journal) › peer-review

Open Access
File
27 Citations (Scopus)

246 Downloads (Pure)
An Efficient Computational Assay for β-Lactam Antibiotic Breakdown by Class A β-Lactamases
Hirvonen, V., Hammond, K., Chudyk, E., Limb, M., Spencer, J., Mulholland, A. & Van der Kamp, M., 30 Jul 2019, (E-pub ahead of print) In: Journal of Chemical Information and Modeling. 59, 8, p. 3365-3369 5 p.
Research output: Contribution to journal › Article (Academic Journal) › peer-review

Open Access
File
16 Citations (Scopus)

300 Downloads (Pure)