The University of Southampton


Graham, James, Essex, Jonathan and Khalid, Syma (2017) PyCGTOOL: automated generation of coarse-grained molecular dynamics models from atomistic trajectories. Journal of Chemical Information and Modeling, 57 (4), 650-656. (doi:10.1021/acs.jcim.7b00096).

Hall, Wendy, Cox, Adrian, Crouch, Stephen, Schueler, Mark and Graham, James (2019) PETRAS-IoT data management and sharing infrastructure: an evolution of IoT observatory (PEDASI) (HASH(0xd9c78f8)) 21pp.

Schueler, Mark, Crouch, Steven, Cox, Adrian, Graham, James and Hall, Wendy (2019) Enhanced interface for PEDASI-IoT data sources 30pp.

Schueler, M., Cox, A., Sha Yuan, , Crouch, S., Graham, J. and Hall, W. (2019) From observatory to laboratory: a pathway to data evolution. In Proceedings of Living in the Internet of Things (IoT 2019). IET Conference Publications. pp. 1-12 . (doi:10.1049/cp.2019.0137).

Graham, James (2019) Software for the automated generation of coarse-grained molecular dynamics models. University of Southampton, Doctoral Thesis, 83pp.


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