Experimental Parameterization of an Energy Function for the Simulation of Unfolded Proteins

2007/09/07 by Anders B. Norgaard, Jesper Ferkinghoff‐Borg, Jesper Ferkinghoff-Borg +2 · 1 voice · 32 citations
Biochemistry, Genetics and Molecular Biology · Materials Science · #Protein Structure and Dynamics #Enzyme Structure and Function #RNA and protein synthesis mechanisms

paper · pdf · doi:10.1529/biophysj.107.108241

Citations

• Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling

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Discussions

• We present an end-to-end differentiable Bayesian framework for learning the latent parameters of coarse-grained potentials for IDPs. By optimizing a likelihood objective via importance-weighted gradie [bsky, 15 points, 0 comments]