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Jorge Roel

@jroeltou

Joined February 2019
88 Following 127 Followers 403 Posts

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Jorge Roel @jroeltou
Am I the only one who finds these results extremely puzzling? When introducing novel proteins the performance somewhat drops (as expected) but when also introducing novel ligands the performance skyrockets 😂
Protenix Verified account @ai4s_protenix Feb 20, 2025
We just releasd our new docking tool: ProteniX-Dock ! Welcome everyone to try out~

GNU GPL3 so allows commercial use, and has a nice Python interface and CLI😁

Let's dive into it! 🧵
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Jorge Roel @jroeltou
onlinelibrary.wiley.com The structural landscape of the immunoglobulin fold by large‐scale de novo design De novo designing immunoglobulin-like frameworks that allow for functional loop diversification shows great potential for crafting antibody-like scaffolds with fully customizable structures and...
🚨 We've generated a comprehensive dataset of ~50K high-quality de novo Ig domains, from an in silico screening of ~4M scaffolds, structurally divergent from naturally occurring ones. We uncovered conformational features shaping the structure and function of the Ig fold 🚨
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Jorge Roel @jroeltou
🚨 We've generated a comprehensive dataset of ~50K high-quality de novo Ig domains, from an in silico screening of ~4M scaffolds, structurally divergent from naturally occurring ones. We uncovered conformational features shaping the structure and function of the Ig fold 🚨
bioRxiv Bioinfo @biorxiv_bioinfo Oct 4, 2023
The structural landscape of the immunoglobulin fold by large-scale de novo design biorxiv.org/cgi/content/sh… #biorxiv_bioinfo
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