Computational Structural Bioinformatics

This book constitutes the proceedings of the Computational Structural Bioinformatics Workshop, CMSB 2024, which took place in Boston, MA, USA, on November 16, 2024.

The 7 papers presented in this book were carefully reviewed and selected for inclusion in the proceedings. They deal with relevant problems in classification, modeling and analyzing protein structures and complexes.

Inhalt

SuperFoldAE: Enhancing Protein Fold Classification with Autoencoders.- Enhancing Drug Discovery via Physics-Guides Deep Generative Models.- Decoys Reveal Multiple Basins of Attraction for Cryo-Electron-Microscopy Flexible Fitting.- Using Autoencoders to Explore the Conformational Space of the Cdc42 Protein.- Using Molecular Dynamics to Assess How Two Insertion Mutations Affect Protein Structure.- Toward Modeling Protein Multimers by Combining AlphaFold 3 Predictions with Secondary Structures from Medium-Resolution Cryo-EM Maps.- Automatic Explanation of Protein-Protein Binding Mechanism: A Preliminary Study.