Computational Structural Bioinformatics

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.

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• Modelagem computacional e simulação
• Biologia, ciências da vida

data mining of structural data;biomolecular graphics;graph theory applied to structural problems;biomolecular graphics;bioinformatics;structural biology;algorithms in bioinformatics;protein structure prediction;protein-protein interactions;machine learning