SDP
SDP predicts real inter-residue distances to improve protein structure prediction by accurately modeling large and sequence-distant residue separations.
Key Features:
- Feature Optimization: Reduces the feature set to two coevolutionary and three non-coevolutionary types to minimize noise and enhance prediction accuracy.
- Deep learning framework: Uses a deep learning model that integrates the selected features to predict real inter-residue distances.
- Improved Prediction Accuracy: Achieves at least a 10% increase in mean Local Distance Difference Test (LDDT) scores on benchmark protein datasets compared to state-of-the-art methods.
- Efficient Conformational Search: Produces more accurate inter-residue distance predictions that facilitate more efficient conformational searches during protein structure prediction.
Scientific Applications:
- Structural biology: Supports development of accurate 3D protein models for understanding protein function, interactions, and mechanisms.
- Bioinformatics research: Serves in benchmarking and improving protein structure prediction methods using inter-residue distance evaluation.
- Drug discovery: Provides distance constraints useful for structure-based drug design and ligand modeling.
- Enzyme design: Aids enzyme engineering by supplying precise inter-residue distance information for model building.
Methodology:
Employs a deep learning framework that integrates a carefully selected set of features—two coevolutionary and three non-coevolutionary—to predict real inter-residue distances and reduce noise through feature selection.
Topics
Details
- Cost:
- Free of charge
- Tool Type:
- command-line tool
- Operating Systems:
- Mac, Linux, Windows
- Programming Languages:
- Python
- Added:
- 6/10/2022
- Last Updated:
- 6/10/2022
Operations
Publications
Rahman J, Newton MAH, Islam MKB, Sattar A. Enhancing protein inter-residue real distance prediction by scrutinising deep learning models. Scientific Reports. 2022;12(1). doi:10.1038/s41598-021-04441-y. PMID:35039537. PMCID:PMC8764118.