A Multiscale Workflow for Modelling Ligand Complexes of Zinc Metalloproteins

Representative MD trajectories, topologies and input files for the protein:ligand complexes presented in the paper Yang et al. J Chem. Inf. Model. 2021.

Complete download (zip, 59.1 GiB)

Creator(s) Zongfan Yang, Rebecca Twidale, Adrian Mulholland
Contributor(s) Silvia Gervasoni, Reynier Suardíaz, Charlie Colenso, Eric Lang, Jim Spencer
Publication date 03 Nov 2021
Language eng
Publisher University of Bristol
Licence Non-Commercial Government Licence for public sector information
DOI 10.5523/bris.10p78zgsappbz226bzrdagabq9
Citation Zongfan Yang, Rebecca Twidale, Adrian Mulholland (2021): A Multiscale Workflow for Modelling Ligand Complexes of Zinc Metalloproteins. https://doi.org/10.5523/bris.10p78zgsappbz226bzrdagabq9
Total size 59.1 GiB

Sub-levels

Data Resources