MEDELLER

MEDELLER predicts membrane protein structures by homology-based coordinate generation optimized for membrane proteins, producing reliable core models for structural biology and drug discovery.

Key Features:

• Membrane Protein Optimization: Optimizes coordinate generation and modeling specifically for the distinct structural characteristics of membrane proteins rather than for globular, water-soluble proteins.
• High Reliability and Accuracy: Demonstrated superior performance in comparative studies, achieving an average backbone RMSD of 2.62 Å across 616 target-template pairs versus 3.16 Å for Modeller.
• Performance on Easy Test Sets: On a subset of easier test cases with higher sequence similarity, achieved an average backbone RMSD of 0.93 Å compared to Modeller's 1.56 Å.

Scientific Applications:

• Structural biology: Provides more accurate membrane protein core models to inform structural interpretation and hypothesis generation.
• Drug discovery: Facilitates design and optimization of therapeutics targeting membrane proteins by supplying improved structural models of targets.

Methodology:

Homology-based modeling tailored for membrane proteins that leverages available structural templates and optimizes coordinate generation to produce reliable core models.