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- Protein Conformation and Energy Landscape
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Classroom Contents
Chemically Transferable Generative Backmapping of Coarse-Grained Proteins
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- 1 - Intro
- 2 - Glossary
- 3 - Protein Conformation and Energy Landscape
- 4 - Seminal Prior Work
- 5 - Conditional VAE Framework of Generative Backmapping
- 6 - Can Backmapping be Made Transferable?
- 7 - Proof of Concept Study
- 8 - Data: Protein Ensemble Database
- 9 - Encoder and Prior: Equivariant Message Passing
- 10 - Decoder: Backbone Reconstruction
- 11 - Encoder: Sidechain Reconstruction
- 12 - Learning Objectives
- 13 - Ablation Study 1: Transferability
- 14 - Ablation Study 2: Equivariance of the Encoder
- 15 - Ablation Study 3: Decoder Degrees of Freedom
- 16 - Diversity Metrics
- 17 - Q+A
