Free learning resources
Quickly learn how to integrate Schrödinger technology into your research. From overviews to deep dives, you can find information about applications, workflows, and analysis here.
Video
Materials Science
Getting Going with Materials Science Maestro Video Series
A free video series introducing the basics of using Materials Science Maestro.
- Tutorial
Introduction to Materials Science Maestro Tutorial
An introduction to Materials Science Maestro, covering basic navigation, an intro to building models and several of the key functionalities of the graphical user interface.
- Documentation
Materials Science Documentation
Comprehensive reference documentation covering materials science panels and workflows.
Filters
Tutorials
Self-guided step-by-step introductions to various workflows with example files for getting comfortable with Schrödinger tools.
Videos
Short video overviews of specific introductory and scientific topics, including summaries of new release features.
Quick reference sheets
A one-page PDF that visually describes the panel or workflow.
Found 167 Results
Video
Materials Science
- Documentation
OPLS4 and OPLS5 Force Field
A force field that is a model of the potential energy of a chemical system – a set of functions and parameters used to model the potential energy of the system, and thereby to calculate the forces on each particle.
- Documentation
MacroModel
A force field-based molecular modeling tool, with a range of advanced features and methods for examining molecular conformations, molecular motion, and intermolecular interactions.
- Documentation
KNIME Extensions
Schrödinger KNIME extensions of more than 160 nodes and provides access to a wealth of ligand- and structure-based tools from the Schrödinger Suite.
- Documentation
Force Field Builder
Customize torsions not explicitly included in the OPLS4 or OPLS5 force field by fitting to quantum-mechanical calculations for a set of molecules.
- Documentation
FEP+
Computational prediction of protein-ligand binding using physics-based free energy perturbation technology at an accuracy matching experimental methods.
- Documentation
Desmond
Simulate biological systems with a GPU-powered high-performance molecular dynamics (MD) engine.
- Documentation
DeepAutoQSAR
Predict molecular properties based on chemical structure using machine learning (ML).
- Documentation
Crystal Structure Prediction
Documentation for Crystal Structure Prediction: explore potential crystal polymorphs and rank them based on their energies.
- Documentation
AutoTS
Documentation for Auto TS (Transition States): an automated workflow to find transition states, particularly for elementary, molecular reactions.
- Documentation
Active Learning Applications
Active Learning Glide documentation including online help and user manual.
Video
Materials Science
Polymers: Schrödinger’s Materials Science Builder Series
This video showcases a workflow for polymer modeling, including building, simulating, and analyzing polymer models, and exporting to PyMOL for movie creation.
Featured Webinars
Webinar
Materials Science
A paradigm change in the design and optimization of OLED materials using a digital chemistry strategy
In this webinar, we present the impact of in silico technologies for systematic design, development, and selection of organic optoelectronic materials.
Webinar
Materials Science
Leveraging Atomic Scale Modeling for Design and Discovery of Next-Generation Battery Materials
In this webinar, we demonstrate how Schrödinger’s advanced digital chemistry platform can be leveraged to accelerate the design and discovery of next-generation battery materials with improved properties.
Additional 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.
Teaching with Schrödinger
Connect your students to industry-leading molecular modeling software through a web-based platform. Incorporate molecular modeling in the classroom.
Other Resources