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.

PMID: 35039537
PMCID: PMC8764118
Funding: - Australian Research Council: DP180102727