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Intro
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Classroom Contents
Diffusion Based Distributional Modeling of Conformers, Blind Docking and Proteins
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- 1 Intro
- 2 (1) Realizing likely 3D conformers
- 3 (1) Torsional diffusion for conformer generation
- 4 Search-based methods
- 5 Deep learning approaches
- 6 Rethinking blind docking as generative modeling
- 7 A case for generative docking
- 8 Generative pose prediction
- 9 Technical note: forward diffusion
- 10 De-noising (score) model
- 11 DiffDock: performance with ESM folded structures
- 12 3D motif scaffolding
- 13 (3) Backbone scaffolding challenge
- 14 (3) Conditioning via Sequential Monte Carlo
- 15 (3) Motif-scaffolding case-studies
- 16 (3) Integrating protein folding & design
- 17 Poisson flow - inspired by electrostatics
