Antibody Molecular Dynamics Simulation

Antibody molecular dynamics simulations are a powerful approach in computational biology for investigating the intricate details of antibody behavior, aiding in drug design, therapeutic development, and understanding immune responses. CD ComputaBio provides clients with the highest quality, one-stop antibody molecular dynamics services using world-class technology.

Antibody-Antigen Interaction Kinetics

The precise pairing of antigens with antibodies relies on several non-covalent forces, including hydrogen bonding, hydrophobic interactions, electrostatic attractions, and Van der Waals forces. Despite their weak nature, these interactions can result in strong associations between antigens and antibodies. Similar to antibodies, antigens may exhibit multivalence, which can occur through the presence of multiple identical epitopes or through a variety of epitopes that different antibodies can recognize. Such multivalent interactions can lead to the formation of more stable complexes.

Fig 1. Molecular dynamics simulation process

Our Services

CD ComputaBio offers a comprehensive suite of services designed to computationally enhance antibody affinity and revolutionize traditional approaches to antibody engineering. Our innovative services, including antibody-antigen interaction analysis, are tailored to meet the diverse needs of researchers and scientists, providing access to accelerate the discovery and development of high-affinity antibodies.

Trajectory Analysis

• Molecular conformation sampling (cluster analysis, dominant conformation identification)
• Binding free energy calculations (MM-PBSA, TI, FEP)
• Backbone fluctuation analysis (RMSD, RMSF)
• Hot spot residue analysis
• Conformational transition analysis (PCA, simple normal mode analysis, secondary structure analysis, potential energy surface scanning, dominant conformation identification)
• Volume, pressure, temperature, and density monitoring analysis

Methods of Antibody Molecular Dynamics Simulation

Our Advantages

By choosing CD ComputaBio for your antibody molecular dynamics simulation needs, you are partnering with a company at the forefront of computational biology, committed to delivering results that drive scientific discovery and innovation. Contact us today to learn more about how our services can empower your research.

• Molecular Dynamics Simulation Service
• Umbrella Sampling Simulation Service
• Steered Molecular Dynamics (SMD) Service
• Replica Exchange Molecular Dynamics (REMD) Services
• Targeted Molecular Dynamics (TMD) Simulation
• Fold Recognition Service