Molecular Simulation
Molecular Docking
Molecular Dynamic Simulation
Aptamer Screening
We use advanced computational tools to explore molecular interactions and behaviors at the atomic and molecular levels. Our Molecular Simulations service provides invaluable insights for drug discovery, research, ligand interaction, and various research applications.
What can our Molecular Simulations services provide for you?
Molecular Docking
Molecular Dynamic (MD) Simulation
Free Energy Calculation
Structure Validation and Optimization
Aptamer Screening and Selection
Molecular Docking
Molecular docking predicts how two molecules, such as a drug and its target, interact at the atomic level. Docking helps identify the best candidates for further study by simulating binding poses and affinities.
Ligand-Protein Docking
Protein-Protein Docking
Peptide Docking
Structure-Based Drug Design
Binding Affinity Predictions
Molecular Dynamics Simulations
Molecular Dynamics (MD) simulations use physics-based models to track the movement of atoms and molecules over time. MD simulations provide detailed insights into molecular interactions, stability, and flexibility under physiological conditions.
Protein-Ligand Interaction
Membrane Protein Simulations
Conformational Dynamics
Free Energy Calculations
Mutational Studies
Aptamers
Aptamers are short, single-stranded DNA or RNA molecules that are capable of binding to specific targets, such as proteins, small molecules, or cells, with high specificity and affinity.
Aptamer Screening
Aptamer Selection
3D - Configuration Prediction
Binding Site Prediction