A Multiscale Workflow for Modelling Ligand Complexes of Zinc Metalloproteins

Zongfan Yang (Creator)
Rebecca Twidale (Creator)
Adrian J Mulholland (Creator)
Silvia Gervasoni (Contributor)
Reynier Suardíaz (Contributor)
Charlie Colenso (Contributor)
Eric Lang (Contributor)
Jim Spencer (Contributor)

Dataset

Description

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

Date made available	21 Oct 2021
Publisher	University of Bristol

Contact

[email protected]

DOI
10.5523/bris.10p78zgsappbz226bzrdagabq9

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1 Article (Academic Journal)

Multiscale Workflow for Modeling Ligand Complexes of Zinc Metalloproteins
Yang, Z., Twidale, R. M., Gervasoni, S., Suardíaz, R., Colenso, C. K., Lang, E. J. M., Spencer, J. & Mulholland, A. J., 22 Nov 2021, In: Journal of Chemical Information and Modeling. 61, 11, p. 5658-5672 15 p.
Research output: Contribution to journal › Article (Academic Journal) › peer-review

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17 Citations (Scopus)

222 Downloads (Pure)

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