MutCov

MutCov evaluates the impact of mutations in the SARS-CoV-2 spike protein on viral infectivity and antigenicity.

Key Features:

• Binding Free Energy Calculations: Calculates binding free energies between mutated spike proteins and angiotensin-converting enzyme 2 (ACE2) and neutralizing monoclonal antibodies (mAbs).
• Predictive Accuracy: Produces predictions of infectivity and antigenicity that have been validated against experimental results.
• Systematic Evaluation: Provides a systematic assessment of how specific spike protein mutations influence viral infectivity and immune recognition.

Scientific Applications:

• Viral Evolution Monitoring: Assesses how new spike mutations might affect SARS-CoV-2 transmission dynamics.
• Vaccine Development: Predicts changes in antigenicity to identify potential escape variants that could affect vaccine efficacy.
• Therapeutic Interventions: Identifies mutations that may impact the effectiveness of monoclonal antibody treatments.

Methodology:

MutCov simulates interactions between mutated spike proteins and ACE2 or neutralizing monoclonal antibodies and computes binding free energies to predict effects on infectivity and antigenicity.