Biomolecular Modelling

2. Enhances molecular simulations by accelerating rare event sampling efficiently.
9. Describes the path an object follows through space over time.
10. Study of spatial properties preserved under deformation, like stretching and twisting.
11. Molecular docking software for predicting protein-ligand interactions.
14. Reduces molecular energy by optimizing structures for stable conformations.
15. Docking predicts molecular interactions by fitting a ligand into a receptor.
16. Describes a molecule's tendency to repel water and avoid interaction.

1. The study of electric charges, forces, and fields in stationary systems.
3. The process of surrounding solute molecules with solvent molecules.
4. Models real-world processes digitally to analyze behavior and predict outcomes.
5. Combines biology, computing, and data analysis to interpret biological information.
6. Study of drug effects on the body and biological responses.
7. Plot developed by a scientist that visualizes protein backbone dihedral angles for structural validation.
8. Describes mathematical models for simulating molecular interactions and energies.
12. Optimization improves efficiency by adjusting variables to achieve the best outcome.
13. Molecule that binds to a target protein receptor.