Ahmet Sarigun
@asarigun.bsky.social
📤 27
📥 105
📝 8
curious explorer -
https://asarigun.github.io/
pinned post!
I'm excited to share our new preprint: PocketVina — a fast, scalable, and accurate multi-pocket molecular docking method. Docking remains essential in early-stage drug discovery, but recent deep learning–based approaches still face limitations in generating... Thread - (1/n)
loading . . .
3 months ago
1
4
5
reposted by
Ahmet Sarigun
Matthieu da Costa
27 days ago
With the release of Boltz 2, is there already a review comparing the efficiency of different (new) docking tools? (I’ve already tried Pocket Vina, which is actually quite good for high-throughput)
0
3
2
reposted by
Ahmet Sarigun
Max Delbrück Center
15 days ago
Nearly 50 new cancer drugs are approved each year – but which one fits which patient? At the #mdcBerlin, @al2na.bsky.social’s team built Flexynesis, a deep learning toolkit to guide precision cancer care. Learn more: 👉
www.mdc-berlin.de/news/press/u...
👈
0
9
4
reposted by
Ahmet Sarigun
Gina El Nesr
3 months ago
is this how small molecules bind?? 😼
loading . . .
1
5
1
reposted by
Ahmet Sarigun
Radoslav Krivak
3 months ago
🚀 GPU-accelerated docking to P2Rank-predicted pockets
add a skeleton here at some point
0
5
4
I'm excited to share our new preprint: PocketVina — a fast, scalable, and accurate multi-pocket molecular docking method. Docking remains essential in early-stage drug discovery, but recent deep learning–based approaches still face limitations in generating... Thread - (1/n)
loading . . .
3 months ago
1
4
5
reposted by
Ahmet Sarigun
8 months ago
We're changing the field of
#compchem
by creating free and open-source software for performing alchemical free energy calculations. Our flagship protocol calculates relative binding free energies of protein-ligand systems. Try it out in your browser:
colab.research.google.com/github/OpenF...
0
30
14
reposted by
Ahmet Sarigun
Leif S. Ludwig
8 months ago
Join us to connect with the vibrant
#singlecell
community. 📢Register for the
#ISCO'25
Conference "Innovations in
#SingleCell
#OMICS
" in Berlin! 🗓️ 12-13 May 2025 🎤 Fantastic Keynote and Invited Speakers 🫵🏿 Many slots for talks: submit your abstract 🔗http://isco-conference.eu Please spread the word!
1
14
10
reposted by
Ahmet Sarigun
Pia Rautenstrauch
8 months ago
1/4 🧵 Preprint alert: In "Metrics Matter: Why We Need to Stop Using Silhouette in
#SingleCell
#Benchmarking
," we reveal critical flaws in common
#Evaluation
metrics for
#Integration
and propose robust alternatives.
@uweohler.bsky.social
www.biorxiv.org/content/10.1...
loading . . .
Metrics Matter: Why We Need to Stop Using Silhouette in Single-Cell Benchmarking
Current-day single-cell studies comprise complex data sets affected by nested batch effects caused by technical and biological factors, relying on advanced integration methods. Silhouette is an establ...
https://www.biorxiv.org/content/10.1101/2025.01.21.634098v1
1
15
8
you reached the end!!
feeds!
log in