Data Size and Quality Matter: Generating Physically-Realistic Distance Maps of Protein Tertiary Structures.

ABSTRACT: With the debut of AlphaFold2, we now can get a highly-accurate view of a reasonable equilibrium tertiary structure of a protein molecule. Yet, a single-structure view is insufficient and does not account for the high structural plasticity of protein molecules. Obtaining a multi-structure view of a protein molecule continues to be an outstanding challenge in computational structural biology. In tandem with methods formulated under the umbrella of stochastic optimization, we are now seeing rapid advances in the capabilities of methods based on deep learning. In recent work, we advance the capability of these models to learn from experimentally-available tertiary structures of protein molecules of varying lengths. In this work, we elucidate the important role of the composition of the trainin

SUBMITTER: Alam FF 

PROVIDER: S-EPMC9313347 | biostudies-literature | 2022 Jun

REPOSITORIES: biostudies-literature