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 · 103 citations
Biochemistry, Genetics and Molecular Biology · Materials Science · #Biological system #Biology #Cell biology #Energy (signal processing) #Enzyme Structure and Function #Function (biology) #Physics #Protein Structure and Dynamics #RNA and protein synthesis mechanisms #Statistical physics

paper · pdf · doi:10.1529/biophysj.107.108241

published in Biophysical Journal 94(1), 182-192 (Elsevier BV)

openalex publication_date 2007/09/07 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/01

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]