Emil Thomasen
@emilthomasen.bsky.social
Protein biochemistry and computational biophysics. Postdoc at the Linderstrøm Lang Centre for Protein Science, University of Copenhagen.
Reposted by Emil Thomasen
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...
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...
June 26, 2025 at 9:12 AM
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...
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...
Reposted by Emil Thomasen
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...
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...
April 17, 2025 at 7:11 PM
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...
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...