Data from: Cryptic genetic variation shapes the adaptive evolutionary potential of enzymes

Baier F, Hong N, Yang G, Pabis A, Miton CM, Barrozo A, Carr PD, Kamerlin SCL, Jackson CJ, Tokuriki N

Date Published: February 8, 2019

DOI: https://doi.org/10.5061/dryad.qk653b3

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Title Representative MD structures and setup files
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Description The data package contains: 1. PDB files with representative structures of top clusters, with clustering performed using RMSD as a similarity measure between the structures in simulated trajectories. 2. Topologies, input structures and files containing additional parameters and settings used in the simulations for each simulated system. 3. Sample inputs for a single MD run. Detailed description of the contents of the data package can be found in the README file.
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When using this data, please cite the original publication:

Baier F, Hong N, Yang G, Pabis A, Miton CM, Barrozo A, Carr PD, Kamerlin SC, Jackson CJ, Tokuriki N (2019) Cryptic genetic variation shapes the adaptive evolutionary potential of enzymes. eLife 8: e40789. https://doi.org/10.7554/eLife.40789

Additionally, please cite the Dryad data package:

Baier F, Hong N, Yang G, Pabis A, Miton CM, Barrozo A, Carr PD, Kamerlin SCL, Jackson CJ, Tokuriki N (2019) Data from: Cryptic genetic variation shapes the adaptive evolutionary potential of enzymes. Dryad Digital Repository. https://doi.org/10.5061/dryad.qk653b3
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