Drug discovery is shifting from trial-and-error to intelligent design. By integrating machine learning, structural biology, and molecular dynamics simulations, researchers can now generate novel proteins, predict their structures with atomic precision, and simulate their behavior in realistic environments. This convergence enables a programmable approach to therapeutic development.
Access this compendium to learn:
- The principles and workflows of structure-based drug design
- How scientists use AI to generate therapeutic proteins from scratch
- How scalable molecular dynamics simulations validate and refine candidate therapeutics
