MULTISCALE ENSEMBLE COMPUTING FOR MODELLING BIOLOGICAL CATALYSTS

Mulholland, Adrian J (Principal Investigator)

1 Article (Academic Journal)

1 results

2011
A water-swap reaction coordinate for the calculation of absolute protein-ligand binding free energies
Woods, C. J., Malaisree, M., Hannongbua, S. & Mulholland, A. J., 7 Feb 2011, In: Journal of Chemical Physics. 134, 5, 13 p., 054114.
Research output: Contribution to journal › Article (Academic Journal) › peer-review
80 Citations (Scopus)