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Research project

The UK High-End Computing Consortium for Biomolecular Simulation

Collaborating research institutes, centres and groups

Research outputs

Binding From both sides
2019, Structure, 27(4), 713-724.e2
DOI: 10.1016/j.str.2019.01.001
Type: article
Details of hydrophobic entanglement between small molecules and Braun’s lipoprotein within the cavity of the bacterial chaperone LolA
2019, Nature
DOI: 10.1038/s41598-019-40170-z
Type: article
Movement of arginine through OprD: The energetics of permeation and the role of lipopolysaccharide in directing arginine to the protein
2019, The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.9b00063
Type: article
Atomistic and coarse grain simulations of the cell envelope of Gram-negative bacteria: what have we learned?
2018, Accounts of Chemical Research
DOI: 10.1021/acs.accounts.8b00377
Type: article
Biomolecular simulations
David J. Huggins, Philip C. Biggin, Marc A. Dämgen, Jonathan W. Essex, Sarah A. Harris, Richard H. Henchman, Syma Khalid, Antonija Kuzmanic, Charles A. Laughton, Julien Michel, Adrian J. Mulholland, Edina Rosta, Mark S.P. Sansom & Marc W. van der Kamp, 2018, Wiley Interdisciplinary Reviews: Computational Molecular Science, 1-23
DOI: 10.1002/wcms.1393
Type: article