Protein Fold Stability Prediction And Optimization

via “end-to-end differentiable protein structure prediction from sequence”

* 📰 2022: [ChatGPT: Optimizing Language Models For Dialogue (ChatGPT)](https://openai.com/blog/chatgpt/)

Unique: Uses a hybrid architecture combining MSA embeddings (capturing evolutionary information) with pairwise distance and angle predictions in a single differentiable model, trained on ~170k PDB structures. Achieves CASP14 accuracy (GDT_TS ~87%) without requiring template-based homology modeling, a paradigm shift from traditional physics-based or template-dependent methods.

vs others: Outperforms RoseTTAFold and I-TASSER on CASP benchmarks with faster inference and more reliable confidence estimates (pLDDT), while being fully open-source and requiring no manual template selection unlike older homology modeling approaches.

via “protein-structure-prediction”

via “protein-structure-prediction”

via “rna thermodynamic stability prediction”