Computational technologies to optimize structure-based drug design
Physics-based approach to estimate ligand protein binding affinities.
Benchmarked on all major industry standard datasets.
Fast and cost-efficient
Our MD engine, Q, works efficiently on modern hardware architecture.
Our proprietary physics-based software platform is designed to increase performance and throughput in early stage drug discovery.
Our platform has been used in lead optimization projects on various target classes (e.g. GPCRs, kinases, lactamases), to predict thermal stability of proteins and the effect of point mutations on ligand binding.
At MODSIM Pharma, we are constantly improving our techniques in close collaboration with various academic and industry partners.