Project Details
| Status | Finished |
|---|---|
| Effective start/end date | 5/09/11 → 5/09/13 |
Research Groups and Themes
- Bristol BioDesign Institute
- Physical & Theoretical
Fingerprint
Explore the research topics touched on by this project. These labels are generated based on the underlying awards/grants. Together they form a unique fingerprint.
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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 -
Combined quantum mechanics/molecular mechanics (QM/MM) simulations for protein-ligand complexes: Free energies of binding of water molecules in influenza neuraminidase
Woods, C. J., Shaw, K. E. & Mulholland, A. J., 22 Jan 2015, In: Journal of Physical Chemistry B. 119, 3, p. 997-1001 5 p.Research output: Contribution to journal › Article (Academic Journal) › peer-review
23 Citations (Scopus) -
Rapid decomposition and visualisation of protein-ligand binding free energies by residue and by water
Woods, C. J., Malaisree, M., Michel, J., Long, B., McIntosh-Smith, S. & Mulholland, A. J., 1 Jan 2014, In: Faraday Discussions. 169, p. 477-499 23 p.Research output: Contribution to journal › Article (Academic Journal) › peer-review
86 Citations (Scopus)