Research data supporting - Energy landscapes and heat capacity signatures for peptides correlate with phase separation propensity
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Description
The discrete path sampling databases for various hexapeptides obtained using AMBER interfaced with GMIN, OPTIM and PATHSAMPLE programs for energy landscape exploration. Detailed description is given in the README file.
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GMIN (https://www-wales.ch.cam.ac.uk/GMIN/)
OPTIM (https://www-wales.ch.cam.ac.uk/OPTIM/)
PATHSAMPLE (https://www-wales.ch.cam.ac.uk/PATHSAMPLE/)
AMBER
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Except where otherwised noted, this item's license is described as Attribution 4.0 International (CC BY 4.0)
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This work was supported by Engineering and Physical Sciences Research Council (EPSRC) (D.J.W, grant number EP/N035003/1); the Cambridge Commonwealth, European and International Trust; the Allen, Meek and Read Fund; the Santander fund, St Edmund’s College, University of Cambridge; and the Trinity-Henry Barlow Honorary Award (Nicy).