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Emil Thomasen

@emilthomasen.bsky.social

132 followers 131 following 0 posts

Computational structural biology. Postdoc at Flatiron Institute.

Posts Replies Media

Reposted by Emil Thomasen

Kresten Lindorff-Larsen @lindorfflarsen.bsky.social · 28/08/2026

New paper on the role of disorder in peroxisome proliferator-activated receptors and the functional consequences of transient IDR–DBD interactions by Milena Lalic, Elisabeth Thomsen, @bbkrage.bsky.social and many good colleagues (w. simulations by @emilthomasen.bsky.social) doi.org/10.1038/s414...

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Reposted by Emil Thomasen

Kresten Lindorff-Larsen @lindorfflarsen.bsky.social · 22/02/2026

Looking forward to present our work on predicting protein side-chain rotamer distributions with AlphaFold2 Monday 8:30 at #bps0226 But you should also consider instead going to the The Future of Biophysics Symposium at 9:15 to hear Giulio Tesei talk about his work on data-driven modelling of IDPs

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Reposted by Emil Thomasen

Sonya @sonyahanson.bsky.social · 22/02/2026

A great start to the Biophysical Society Annual Meeting in San Francisco! Check out the various projects being presented on work from Flatiron Institute people! #bps2026

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Reposted by Emil Thomasen

Kresten Lindorff-Larsen @lindorfflarsen.bsky.social · 26/06/2025

How might a quantum computer be used to understand and quantify molecular recognition? In this new interdisciplinary study we bridge from quantum algorithms via quantum chemistry and machine-learning potentials to biomolecular free-energy calculations to explore this problem doi.org/10.48550/arX...

Figure illustrating the data flow in the FreeQuantum pipeline. The database (depicted in the center) facilitates the exchange of data between the individual modules of the pipeline, which are shown on the left- and right-hand sides. The QM/MM and QM/QM/MM modules enable the calculation of accurate reference data. The ML potential module creates an ML potential from these reference data, which is then used by the NEQ module to calculate the binding free energy.

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Reposted by Emil Thomasen

Kresten Lindorff-Larsen @lindorfflarsen.bsky.social · 17/04/2025

AlphaFold is amazing but gives you static structures 🧊 In a fantastic teamwork, @mcagiada.bsky.social and @emilthomasen.bsky.social developed AF2χ to generate conformational ensembles representing side-chain dynamics using AF2 💃 Code: github.com/KULL-Centre/... Colab: github.com/matteo-cagia...

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