Schrödinger's innovative method for modeling the conformational changes induced by ligand binding. By merging the predictive power of Prime with the docking and scoring capabilities of Glide, Induced Fit is able to predict active site geometries with remarkable success.

Jaguar is a high-performance ab initio package for both gas and solution phase simulations, with particular strength in treating metal containing systems, making it the most practical quantum mechanical tool for solving real-world chemical problems.

Using the popular open-source KNIME interface, researchers can easily assemble individual "nodes" into a complete workflow — from structure preparation and selection to a validated predictive model. Expediting a wide variety of common tasks, Schrödinger KNIME Extensions are an indispensable tool for modeling and cheminformatics.