Schrodinger LLC
Schrödinger’s mission is to improve human health and quality of life by transforming the way therapeutics and materials are discovered. The company develops a physics-based computational platform that enables rapid and accurate discovery of high-quality, novel molecules for drug development and materials applications, aiming to be a global leader in molecular discovery and innovation. Schrödinger operates globally with offices in the United States, Europe, India, Japan, Korea, and China, and provides a range of software solutions, research enablement services, and support for scientific discovery.
Industries
Nr. of Employees
large (251-1000)
Schrodinger LLC
New York, New York, United States, North America
Products
Graphical molecular modeling interface
Graphical interface for building, visualizing, and executing molecular modeling workflows including docking setup, MD setup, and model analysis.
Collaborative informatics platform for molecular design
Web-based system for team collaboration, data organization, and shared design workflows for small molecules and biologics.
Free-energy calculation engine
Software engine and workflows for relative and absolute binding free-energy calculations used for potency prediction and compound prioritization.
High-performance molecular dynamics engine
Molecular dynamics engine optimized for large simulations and cluster/GPU execution, interoperable with modeling workflows for conformational sampling.
Quantum chemistry and QM/MM package
High-performance quantum chemistry software and QM/MM tools for electronic-structure calculations, pKa prediction, and mechanistic modeling.
Docking and induced-fit modeling toolkit
Suite for docking, rescoring, induced-fit receptor modeling and explicit-water-aware scoring to support virtual screening and pose refinement.
Graphical molecular modeling interface
Graphical interface for building, visualizing, and executing molecular modeling workflows including docking setup, MD setup, and model analysis.
Collaborative informatics platform for molecular design
Web-based system for team collaboration, data organization, and shared design workflows for small molecules and biologics.
Free-energy calculation engine
Software engine and workflows for relative and absolute binding free-energy calculations used for potency prediction and compound prioritization.
High-performance molecular dynamics engine
Molecular dynamics engine optimized for large simulations and cluster/GPU execution, interoperable with modeling workflows for conformational sampling.
Quantum chemistry and QM/MM package
High-performance quantum chemistry software and QM/MM tools for electronic-structure calculations, pKa prediction, and mechanistic modeling.
Docking and induced-fit modeling toolkit
Suite for docking, rescoring, induced-fit receptor modeling and explicit-water-aware scoring to support virtual screening and pose refinement.
Services
Modeling services and collaborative research
Contract research and collaborative modeling projects supporting target enablement, hit discovery, lead optimization, and materials design using physics-based simulation and ML workflows.
Online certification courses and training
Asynchronous, instructor-supported online courses covering virtual screening, target enablement, spectral simulation, and molecular visualization; courses include temporary access to web-based software and virtual workstations.
Scientific and technical support for platform users
Technical support, documentation, knowledge-base resources, and issue tracking for enterprise and academic deployments of modeling software.
Modeling services and collaborative research
Contract research and collaborative modeling projects supporting target enablement, hit discovery, lead optimization, and materials design using physics-based simulation and ML workflows.
Online certification courses and training
Asynchronous, instructor-supported online courses covering virtual screening, target enablement, spectral simulation, and molecular visualization; courses include temporary access to web-based software and virtual workstations.
Scientific and technical support for platform users
Technical support, documentation, knowledge-base resources, and issue tracking for enterprise and academic deployments of modeling software.
Expertise Areas
- Computational chemistry
- Structure-based drug design
- Virtual screening and library design
- Free-energy calculations for lead optimization
Key Technologies
- Molecular dynamics (MD)
- Metadynamics and enhanced-sampling methods
- Free-energy perturbation (FEP)
- Molecular docking and induced-fit docking