Published September 17, 2021 | Version v1
Journal article Open

Neurosteroids: Structure-Uptake Relationships and Computational Modeling of Organic Anion Transporting Polypeptides (OATP)1A2

Authors/Creators

  • 1. University of Eastern Finland

Contributors

Contact person:

  • 1. University of Eastern Finland

Description

The attachments here consists of homology model, alignment files, Molecular dynamics simulation files for E3S and compound 1-5. 

Files

1a2_compound1_2000ns.zip

Files (37.3 GB)

Name Size Download all
md5:9d69f17f75be6da9d0b31465831b3dfa
5.8 GB Preview Download
md5:9ccc45ab97e7570f8eb4c072e6d0b605
5.9 GB Preview Download
md5:3b29214b9a08ef6b890223a78151e3ca
5.9 GB Preview Download
md5:54f058d27967fc7dea2e66c4067edbeb
5.9 GB Preview Download
md5:082ac303c3069458a8f3e2a085d15464
5.9 GB Preview Download
md5:5ce3d3eb47145e8ea53a940d15067409
7.9 GB Preview Download
md5:8e8b6d23f8614cb1db74074b8f9f0b4e
850.8 kB Download
md5:4193c861725fa92359146c4b5d5b78bb
1.7 MB Preview Download

Additional details

Related works

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Journal article: https://zenodo.org/deposit/5255882 (URL)