EPSRC Flagship Software - BioSimSpace A shared space for the community development of biomolecular simulation workflows

Michel, Julien (Principal Investigator)

School of Chemistry

Status	Finished
Effective start/end date	7/08/17 → 6/02/20

Funding

EPSRC: £654,953.00

3 Article

Sire: An interoperability engine for prototyping algorithms and exchanging information between molecular simulation programs
Woods, C. J., Hedges, L. O., Mulholland, A. J., Malaisree, M., Tosco, P., Loeffler, H. H., Suruzhon, M., Burman, M., Bariami, S., Bosisio, S., Calabro, G., Clark, F., Mey, A. S. J. S. & Michel, J., 30 May 2024, (E-pub ahead of print) In: Journal of Chemical Physics. 160, 20, 202503.
Research output: Contribution to journal › Article › peer-review

Open Access
File
A Suite of Tutorials for the BioSimSpace Framework for Interoperable Biomolecular Simulation [Article v1.0]
Hedges, L. O., Bariami, S., Burman, M., Clark, F., Cossins, B. P., Hardie, A., Herz, A. M., Lukauskis, D., Mey, A. S. J. S., Michel, J., Scheen, J., Suruzhon, M., Woods, C. J. & Wu, Z., 14 Dec 2023, (E-pub ahead of print) In: Living Journal of Computational Molecular Science. 5, 1
Research output: Contribution to journal › Article › peer-review

Open Access
File
Effect of set up protocols on the accuracy of alchemical free energy calculation over a set of ACK1 inhibitors
Granadino-Roldán, J. M., Mey, A. S. J. S., Pérez González, J. J., Bosisio, S., Rubio-Martinez, J. & Michel, J., 12 Mar 2019, In: PLoS ONE. 14, 3, e0213217.
Research output: Contribution to journal › Article › peer-review

Open Access
File