Modeling Services
Services for target enablement, hit discovery, ADMET liabilities, and crystal structure prediction
Propel your drug discovery program with unrivaled technologies and expertise
Access Schrödinger’s latest technologies, run at scale
Benefit from the expertise of our team of computational scientists
All licensing, computing, and service time included
Schrödinger’s latest technologies at scale, in the hands of our team of computational experts
Target enablement services
Unlock your program for rigorous structure-based design
Let us help you prepare your protein target of interest for prospective FEP+ free energy calculations. Start from experimental x-ray structures, or incomplete cryoEM or AlphaFold structures, with known SAR. Schrödinger scientists leverage our unique technologies and expertise to model and validate protein-ligand complexes for highly predictive structure-based design methods.
Hit discovery services
Find more diverse hits, faster with advanced virtual screening technologies
Kickstart your drug discovery program with extensively validated virtual screening and rescoring workflows that leverage Schrödinger’s latest technologies at scale. Screen commercial libraries >5 billion compounds (or >300 million for fragment screens) using both structure- and ligand-based approaches simultaneously, followed by unique rescoring technologies with unrivaled accuracy. Identify more and better potent hits while purchasing and testing fewer compounds.
ADMET liabilities services
De-risk ADMET liabilities more efficiently using structure-based design
Resolve CYP3A4, CYP2D6, hERG, and PXR hurdles early to advance your drug discovery program. We’ll help de-risk off-target liabilities by enabling FEP+ for common ADMET anti-targets, using a rigorous, structure-based approach powered by Schrödinger’s technology and expertise.
Crystal structure prediction services
De-risk drug formulation by identifying the most stable polymorph
Build confidence in your drug formulation by computationally predicting crystal structures and the corresponding energy landscapes. Proactively identify alternative possible low energy crystal structures and prevent disappearing polymorph in late stage development. Schrödinger’s team of experts will leverage cutting-edge computational workflows to identify the most stable crystal forms, starting from the 2D structures of the drug candidates, and provide thermodynamic stability ranking of different structures efficiently.
Training & Resources
Online certification courses
Level up your skill set with hands-on, online molecular modeling courses. These self-paced courses cover a range of scientific topics and include access to Schrödinger software and support.
Tutorials
Learn how to deploy the technology and best practices of Schrödinger software for your project success. Find training resources, tutorials, quick start guides, videos, and more.
Other Resources