Research output per year
Research output per year
Project Details
| Status | Finished |
|---|---|
| Effective start/end date | 30/06/15 → 29/06/21 |
| Links | http://gtr.rcuk.ac.uk/projects?ref=EP/M022129/1 |
Research Groups and Themes
- BcompB
- Bristol BioDesign Institute
- Organic & Biological
- Physical & Theoretical
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Research output
- 10 Article (Academic Journal)
-
Electronic structure benchmark calculations of CO2 fixing elementary chemical steps in RuBisCO using the projector-based embedding approach
Douglas-Gallardo, O. A., Shepherd, I., Bennie, S. J., Ranaghan, K. E., Mulholland, A. J. & Vöhringer-Martinez, E., 8 Jul 2020, (E-pub ahead of print) In: Journal of Computational Chemistry. 41, 24Research output: Contribution to journal › Article (Academic Journal) › peer-review
10 Citations (Scopus) -
IMPRESSION – prediction of NMR parameters for 3-dimensional chemical structures using machine learning with near quantum chemical accuracy
Gerrard, W., Bratholm, L. A., Packer, M. J., Mulholland, A. J., Glowacki, D. R. & Butts, C. P., 20 Nov 2020, In: Chemical Science. 11, 2, p. 508-515 8 p.Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open AccessFile111 Citations (Scopus)303 Downloads (Pure) -
Interactive molecular dynamics in virtual reality from quantum chemistry to drug binding: An open-source multi-person framework
O'Connor, M. B., Bennie, S. J., Deeks, H. M., Jamieson-Binnie, A., Jones, A. J., Shannon, R. J., Walters, R., Mitchell, T. J., Mulholland, A. J. & Glowacki, D. R., 14 Jun 2019, In: Journal of Chemical Physics. 150, 22, 23 p., 220901.Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open AccessFile91 Citations (Scopus)372 Downloads (Pure)