Published July 16, 2021
| Version v1
Dataset
Open
Dataset - Exploring Ligand Binding to Calcitonin Gene-Related Peptide Receptors
Description
Spervised molecular dynamics simulations (SuMD) of:
- CGRP binding to CGRPR TMD
- telcagepant binding to CGRPR ECD
- telcagepant unbinding from CGRPR ECD
(Water molecules, POPC and ions removed)
Files
Files
(1.9 GB)
| Name | Size | Download all |
|---|---|---|
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md5:ba084bdfaed1db565c79e3d1749e3c91
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704.8 kB | Download |
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md5:3cf340174d872ce08629286362e4ba88
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1.6 GB | Download |
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md5:d1108906d95c675da3732eea9f99d3d4
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237.5 kB | Download |
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md5:42892457e6d8cbbcb155c854745ea7aa
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80.6 MB | Download |
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md5:d8075f55bfebedf9ec11203bf1d34afb
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237.5 kB | Download |
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md5:ff08accf2629ff014b2619b74098ced7
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270.9 MB | Download |