Published December 29, 2022
| Version v1
Dataset
Open
Protein Structure Files and Galaxy Workflows for Conducting Molecular Dynamics Simulations of Flavivirus Helicases
Creators
- 1. Genomic Medicine Institute at The Lerner Research Institute of The Cleveland Clinic
- 1. The Galaxy Project
Description
The files included here are a set of Galaxy workflows and starting structure files (PDB, mol2, and frcmod) for the simulation of flavivirus helicases in the apo and drug-bound state. The inhibitors include the 4th highest ranking compound from a virtual screening of more than 12.7 million drug-like molecules.
Files
dr4.frcmod.txt
Files
(2.5 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:cfd76639e5bd3fa03ae8cc7ba2d25d88
|
599.8 kB | Download |
|
md5:3f54cc7d63a441cce2e5d34b41011bbb
|
587.4 kB | Download |
|
md5:44905813a47fa1ceaa857b55b542e69b
|
1.0 kB | Preview Download |
|
md5:c4985280a0259a3bf8aa6af477c08c5a
|
2.5 kB | Download |
|
md5:a0858a1e5f17beceabbadcda0b7288ba
|
72.2 kB | Download |
|
md5:f35a21876ec8b7c07e692b36ec795913
|
72.9 kB | Download |
|
md5:5962ec0fdde451cc2e8b4ca8ac290b0a
|
616 Bytes | Preview Download |
|
md5:4ed9511242610781120317dedaeafe64
|
561.4 kB | Download |
|
md5:2eccd64d28caa68f4f75c11fadfe05b1
|
563.8 kB | Download |