Published June 16, 2023
| Version 1
Dataset
Open
Molecular dynamics trajectories for "Reservoir-REMD facilitates kinetic rescue from metastable peptide conformations
Description
The molecular dynamics-generated ensemble dataset for cyclo-(cGHHQKLV), used in the manuscript "Reservoir-REMD facilitates kinetic rescue from metastable peptide conformations". The dataset consists of 14 + 6 =20 .dcd files, and one .pdb file for rendering.
Files
Files
(72.0 MB)
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md5:0786b64290aa6d8e57c6746d970d7c85
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2.1 MB | Download |
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md5:027f9bdfec821f8961bba302acb090d7
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2.6 MB | Download |
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md5:dc7b32a64a32f9c8516eec8f823a7cef
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4.3 MB | Download |
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md5:b79b0823b08ecfb06451775496ca54b3
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1.7 MB | Download |
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md5:65bfd1d79f258e16581f22590c9f34cb
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8.8 MB | Download |
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md5:b27dd519dc3742e2a5df853b41ad9607
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8.8 MB | Download |
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md5:c0af6d4b7a560d0daaf55d8c4fe69e69
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8.8 MB | Download |
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md5:703a1d78a1a5e84c1db05a473cc1000c
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708.4 kB | Download |
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md5:657137a787a97b4f90ef3c35164c1753
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1.5 MB | Download |
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md5:fcca4bbf15adbe1cf441bb96ccb7b975
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684.5 kB | Download |
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md5:8032bf57ea9a663d1ba725bf314cf2e1
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1.8 MB | Download |
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md5:28bd91a558d24629c4e1442feff81904
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708.4 kB | Download |
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md5:f34d8d25da5b6fe4a8cf62ca81563af3
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708.4 kB | Download |
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md5:f5b54de60f601f226b99eff41cd22cc5
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708.4 kB | Download |
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md5:4a213090b9a599690c90c534ecc46f46
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8.8 MB | Download |
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md5:6c77f31e07b43c51d1b81958085b1f0d
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8.8 MB | Download |
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md5:267e6dc72d144cc377dde22cb0fe9006
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8.8 MB | Download |
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md5:e2ed6ddec6367b502804f582b94c5169
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531.6 kB | Download |
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md5:22ed1f292de499bf7eab9835d3d80c97
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531.6 kB | Download |
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md5:a817a100ff4c45e586a9a2279e9466d4
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531.6 kB | Download |
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md5:20e5f4a42de8daf5e82d709b7e5ff5ee
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5.4 kB | Download |