I developed one of the first fully automated pipelines for template based quaternary structure prediction starting from sequence. The pipeline combines threading templates and domain knowledge from the PDB into a knowledge based energy score. The energy score is integrated into a Monte Carlo sampling simulation that drives the initial template closer to the native topology.
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Technical/Specialized Interests
- General Data Science and Data Engineering
- Matrix and Tensor Algebra
- Network Topology and Analysis
- Optimization Under Constraints
- Graphy Theory and Quiver Mathematics
- General ML/AI and Algorithms
- Probability, Risk Analysis, and Combinatorics
- Transfer Learning
- Macromolecular Structure
- Metabolomics
- Signal Transduction and Regulation
- Image Processing
- Natural Language Processing
- Hybrid Cloud
- Novel Projects