ReSMAP

ReSMAP predicts residue-specific membrane-association propensities for intrinsically disordered regions (IDRs), enabling analysis of sequence determinants of association with acidic membranes.

Key Features:

• Residue-Specific Predictions: Provides per-residue estimates of likelihood to associate with acidic membranes for amino acids within IDRs.
• Sequence-Based Partition Function: Computes membrane-association propensities via a sequence-based partition function trained on molecular dynamics (MD) simulation data from seven IDRs.
• Validation and Robustness: Predictions are validated against NMR spectroscopy data and assessed with leave-one-out cross-validation to evaluate generalizability.

Scientific Applications:

• Functional Mechanism Analysis: Interprets how residue-level membrane association of IDRs may influence protein function and membrane-related activities.
• Sequence Determinant Identification: Reveals sequence features that govern IDR association with acidic membranes.
• Sequence Screening: Enables rapid identification of potential membrane-associated regions within IDR sequences.

Methodology:

Uses extensive molecular dynamics (MD) simulations, development of a sequence-based partition function from MD data (trained on seven IDRs), validation with NMR spectroscopy, and leave-one-out cross-validation.