Research output per year
Research output per year
Research output
- 6 Article (Academic Journal)
Search results
-
2020
Interactive molecular dynamics in virtual reality for accurate flexible protein-ligand docking
Deeks, H. M., Walters, R. K., Hare, S. R., O’Connor, M. B., Mulholland, A. J. & Glowacki, D. R., 11 Mar 2020, In: PLoS ONE. 15, 3, 21 p., e0228461.Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open AccessFile9 Citations (Scopus)55 Downloads (Pure) -
Interactive Molecular Dynamics in Virtual Reality Is an Effective Tool for Flexible Substrate and Inhibitor Docking to the SARS-CoV-2 Main Protease
Walters, R. K., Glowacki, D. R., Mulholland, A. J., Deeks, H. M. & Barnoud, J., 11 Nov 2020, In: Journal of Chemical Information and Modeling. 60, 12, p. 5803-5814Research output: Contribution to journal › Article (Academic Journal) › peer-review
-
2019
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 AccessFile25 Citations (Scopus)185 Downloads (Pure) -
Teaching Enzyme Catalysis Using Interactive Molecular Dynamics in Virtual Reality
Bennie, S., Deeks, H., Glowacki, D., O'Connor, M., Mulholland, A. & Ranaghan, K., 31 Jul 2019, (E-pub ahead of print) In: Journal of Chemical Education.Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open AccessFile28 Citations (Scopus)166 Downloads (Pure) -
2018
Sampling molecular conformations and dynamics in a multiuser virtual reality framework
O'Connor, M., Deeks, H., Dawn, E., Metatla, O., Roudaut, A., Sutton, M., Thomas, L. M. M., Glowacki, B. R., Sage, R., Tew, P., Wonnacott, M., Bates, P., Mulholland, A. & Glowacki, D., 29 Jun 2018, In: Science Advances. 4, 6, 10 p., eaat2731.Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open AccessFile61 Citations (Scopus)171 Downloads (Pure) -
Sampling molecular conformations and dynamics in a multi-user virtual reality framework
Connor, M. O., Deeks, H. M., Dawn, E., Metatla, O., Roudaut, A., Sutton, M., Glowacki, B. R., Sage, R., Tew, P., Wonnacott, M., Bates, P., Mulholland, A. J. & Glowacki, D. R., 9 Jan 2018, In: arXiv.Research output: Contribution to journal › Article (Academic Journal)
File180 Downloads (Pure)