Recent publications?

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Profile a8Pxs8

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Message 2321 - Posted: 15 Oct 2024, 0:11:51 UTC

Are there any recent publications from SiDock project?

On the publications page, I see a lot of things from 2021 and one from 2022
https://www.sidock.si/sidock/publications.php

But on news page I see more recent updates such as changing from Sars-Cov-2 targeting to Ebola targeting in December 2023.

I can't understand everything in the scientific papers but I like to at least try to read them :)

Thank you for your efforts SiDock team!
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Guybrush88

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Message 2325 - Posted: 18 Oct 2024, 11:54:41 UTC

I agree with this thread, it would be interesting to see if our contribution led to discoveries of any kind
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Guybrush88

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Message 2477 - Posted: 9 Sep 2025, 19:34:50 UTC

Are there any updates on this project's work? It's been silent since months
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Abruraspingi

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Message 2479 - Posted: 13 Sep 2025, 13:31:52 UTC

No publications for a few years unfortunately

https://www.sidock.si/sidock/publications.php

https://boinc.berkeley.edu/pubs.php
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Krzysztof Janowski

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Message 2501 - Posted: 8 Nov 2025, 21:39:10 UTC - in response to Message 2479.  

So how do we know we aren’t contributing in vain? What even happens with the data we process?
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Laze

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Message 2503 - Posted: 9 Nov 2025, 10:06:16 UTC - in response to Message 2501.  

So how do we know we aren’t contributing in vain? What even happens with the data we process?


Hi Krzysztof,
I’m 100% certain that the CPU time we donate is very useful for the research, and that the project is contributing meaningfully to science related to the selected targets — because there have been scientific publications in the past that were peer-reviewed.

That said, I do think your question is something the project team should respond to directly.

However, I asked ChatGPT about this, and it confirmed that our contributions are indeed critical to the scientific process behind SiDock.
Below is the full reply I received from ChatGPT-4o. This answer is not official in any way, and I can’t guarantee it’s correct in every detail — but I’m posting it here for context, in case you or others are interested in what answer ChatGPT gave to me.

ChatGPT-4o:
" SiDock@home performs large-scale in silico (computer-based) screening of drug-like molecules against specific viral targets. The goal is to identify potential small-molecule inhibitors that could interfere with essential viral functions — such as binding, entry, or replication — using advanced computational techniques.

For example, in Target #23 (Ebola GP1), the project focuses on the Ebola virus glycoprotein — a critical protein that allows the virus to bind and fuse with human cells.

SiDock uses:
– High-resolution 3D protein structures
– Molecular docking to predict how molecules may bind
– Molecular dynamics simulations to refine those predictions

This process helps researchers:
– Rapidly filter millions of compounds down to a few promising candidates
– Identify structural binding sites and potential mechanisms of inhibition
– Provide detailed ranked lists of candidates for further experimental evaluation

The results can then guide laboratory researchers who may test top candidates in future studies, potentially speeding up early-stage drug discovery.

Furthermore, targets are selected based on both scientific importance and community input. In the case of Target #23, volunteers voted for Ebola GP1 as the next focus — showing how citizen science and expert planning work together in the project.

Importantly, previous SiDock targets have already contributed to scientific publications in peer-reviewed journals. One such example is:
“Prioritisation of Compounds for 3CLpro Inhibitor Development on SARS-CoV-2 Variants”,
Reference: Jukič, M., Škrlj, B., Tomšič, G., Pleško, S., Podlipnik, Č., & Bren, U. (2021). Prioritisation of Compounds for 3CLᵖʳᵒ Inhibitor Development on SARS‑CoV‑2 Variants. Molecules, 26(10), 3003. https://doi.org/10.3390/molecules26103003

In short, SiDock@home is conducting meaningful and technically sound computational research in drug discovery, and the work you contribute to is part of a real and structured scientific process. "

With best regards
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