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New PROTACs dataset #119

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kexinhuang12345 opened this issue Sep 30, 2021 · 4 comments
Open

New PROTACs dataset #119

kexinhuang12345 opened this issue Sep 30, 2021 · 4 comments
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@kexinhuang12345
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kexinhuang12345 commented Sep 30, 2021

Describe the problem
PROTACs are a class of therapeutics that flag target proteins to a cell's waste disposal system, instead of the traditional binding to targets. It has been very promising due to its ability to tackle undruggable targets. However, problems still exist, such as designing the PROTACs, measure the degradability, understand the mechanism. A recent paper https://www.biorxiv.org/content/10.1101/2021.09.27.462040v1 has a nice dataset that predicts degradability given a proten PDB. The dataset is linked here: http://mapd.cistrome.org/

Describe the solution you'd like

from tdc.single_pred import PROTACs_Degrade
data = PROTACs_Degrade(name = 'MAPD',  path = './data')

Additional context
N/A

@kexinhuang12345 kexinhuang12345 added good first issue Good for newcomers new-task Request new task. help-wanted labels Sep 30, 2021
@kexinhuang12345 kexinhuang12345 self-assigned this Sep 30, 2021
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this seems relevant: https://protacpedia.weizmann.ac.il/ptcb/download

@amva13 amva13 pinned this issue Apr 23, 2024
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amva13 commented Apr 23, 2024

@marinkaz any thoughts on this task as well? my understanding is rational design of protein degraders is an exciting frontier task.
https://www.sciencedirect.com/science/article/pii/S2211383524001357
https://www.nature.com/articles/s42256-022-00527-y

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amva13 commented Apr 23, 2024

@kexinhuang12345 will help contribute it.

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amva13 commented May 11, 2024

This for the linker design task @amva13 @marinkaz

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