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Internal-Coordinate Density Modelling of Protein Structure: Covariance Matters
After the recent ground-breaking advances in protein structure prediction, one of the remaining challenges in protein machine learning is to reliably predict distributions of structural states.
Two for One: Diffusion Models and Force Fields for Coarse-Grained Molecular Dynamics
Coarse-grained (CG) molecular dynamics enables the study of biological processes at temporal and spatial scales that would be intractable at an atomistic resolution.
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