Towards Data Science By Francisco Javier Lobo-Cabrera

Proteins: A Mosaic Pattern to Rule Them All?

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For decades, the existence of the hydrophobic core, a region in the 3D structure of proteins where hydrophobic amino acids reside together, has been considered a general property in proteins. What we have found now may extend that model.

Summary generated by The Flow from the publisher's feed. The full article lives at Towards Data Science.

arXiv Machine Learning
Jun 16

Learning Topological Representations for Molecular Dynamics

arXiv:2606. 14737v1 Announce Type: cross Abstract: Molecular dynamics (MD) simulations generate trajectories in a high-dimensional configuration space whose analysis critically depends on molecular descriptors, typically handcrafted observables or learned kinetic embeddings.

By Dominik Geng, Florian Graf, Martin Uray, Roland Kwitt