iMembrane

iMembrane predicts membrane protein positions within lipid bilayers by projecting coarse-grained molecular dynamics simulation results onto input membrane protein sequences or structures using a homology-based approach.

Key Features:

• Homology-Based Approach: Infers membrane insertion positions by comparing target protein sequences or structures to known templates.
• Coarse-Grained Molecular Dynamics Simulations: Uses coarse-grained MD simulations to model interactions between membrane proteins and lipid molecules.
• Projection onto Protein Data: Maps simulation-derived membrane insertion and interaction data onto user-provided membrane protein sequences or structures.
• Rapid Prediction: Produces expedited predictions of membrane protein insertion positions within lipid bilayers.

Scientific Applications:

• Structural Modeling of Membrane Proteins: Provides membrane insertion positions required for constructing and validating membrane protein structural models.
• Drug Design and Development: Supplies positional and lipid interaction information to inform targeting of membrane proteins in therapeutic design.

Methodology:

Combines a homology-based inference step with coarse-grained molecular dynamics simulations and projects simulation outcomes onto input protein sequences or structures.