Discover our collection of 2 research tools and applications for drug discovery.
Found 2 of 2 tools
Versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. It is primarily designed for biochemical molecules like proteins, lipids and nucleic acids that have a lot of complicated bonded interactions, but since it is extremely fast at calculating the nonbonded interactions (that usually dominate simulations) many groups are also using it for research on non-biological systems, e.g. polymers.
AlphaFold 3 is an advanced artificial intelligence system for predicting the 3D structures and interactions of biological molecules. It was developed by DeepMind in collaboration with Isomorphic Labs. It is the successor to AlphaFold 2, which revolutionized protein structure prediction.