DelPhi Force

DelPhi Force calculates electrostatic forces between atoms and macromolecules to quantify molecular-level electrostatic interactions relevant to biomolecular structure and function.

Key Features:

• Electrostatic Force Calculation: Calculates electrostatic interactions among proteins, DNAs, lipids, and small molecules.
• Molecular-Level Modeling: Models electrostatic forces at atomic, residue, domain, and whole-molecule scales.
• Visualization Capabilities: Produces outputs that can be visualized using VMD (Visual Molecular Dynamics) to inspect the calculated forces spatially.

Scientific Applications:

• Protein-Cofactor Interactions: Analyzes electrostatic contributions to protein–cofactor binding and function.
• Domain-Domain Interactions: Assesses electrostatic forces governing inter-domain organization and dynamics within multi-domain proteins.
• Protein-Protein Interactions: Evaluates electrostatic components of protein–protein interactions relevant to signaling and immune responses.
• Protein-DNA and Protein-RNA Interactions: Investigates electrostatic interactions in protein–DNA and protein–RNA complexes related to gene regulation, transcription, and RNA processing.

Methodology:

Computes and visualizes electrostatic forces at atomic and macromolecular levels using advanced computational simulation techniques.