- Tutorial
Liability Analysis for Biologics
Explore tools that can be used in liability detection and mitigation for biologics.
- Tutorial
Enumeration Tools for Library Design
Use enumeration tools to design libraries for lead optimization of a CDK2 inhibitor.
- Tutorial
Small Molecule Membrane Permeability
Predict the membrane permeability of a series of small molecules.
- Tutorial
Covalent Docking for Virtual Screening and Pose Prediction
Dock a set of ligands that bind covalently to the receptor, using predefined or custom reaction chemistry.
- Tutorial
Rapid Screening of Chemical Libraries with GPU Shape
Perform rapid shape-based screening of a 20,000 compound chemical library with GPU Shape.
- Tutorial
Chimeric Homology Modeling Using the Multiple Sequence Viewer/Editor
Build a chimeric homology model using the Multiple Sequence Viewer/Editor (MSV).
- Tutorial
Sequence Annotation of Antibodies with the Multiple Sequence Viewer/Editor
Annotate an antibody sequence with residue-level properties with the Multiple Sequence Viewer/Editor (MSV).
- Tutorial
Building Homology Models with the Multiple Sequence Viewer/Editor
Build and refine a homology model with the MSV.
- Tutorial
Introduction to BioLuminate and the Multiple Sequence Viewer/Editor
Prepare and visualize an enzyme, analyze the sequence for residue conservation, and build a homology model with the MSV.
- Tutorial
Batch Homology Modeling Using the Multiple Sequence Viewer/Editor
Build multiple homology models using a single template with the MSV.
- Tutorial
Cross-Docking with IFD-MD
Use IFD-MD to generate a predicted binding pose of a known active compound using a holo structure solved with a different ligand as a starting point.
Case Studies
Case Study
Life Science
Materials Science
Case Study
Life Science
Case Study
Life Science
Documentation
- Documentation
LiveDesign Documentation
Information and instruction on how to use Schrödinger’s LiveDesign platform including user manuals, tutorials, cheatsheets, and workflows.
- Documentation
Learning Path: Computational Structure Prediction
A structured overview of tools and workflows for predicting biomacromolecular structures in whole or in part.
Events
Event
Life Science
- Jun 1st-30th, 2025
Educator’s Month Webinars 2025
Join us for a series of live webinar presentations throughout June 2025 from leading educators at top academic institutions, as well as talks by Schrödinger scientists.
Event
Life Science
- Jun 3rd-27th, 2025
Educator’s Month 2025
Throughout the month, join us for webinars, in-person workshops, and an undergraduate student virtual science fair that will highlight the role of computational tools in the classroom and connect you with educators from all over the world.
Event
Materials Science
- Jun 8th-13th, 2025
NAM29
Schrödinger is excited to be participating in the NAM29 conference taking place on June 8th – 13th in Atlanta, Georgia.
Product Videos
Video
Life Science
Getting Going with Maestro BioLuminate
A free video series introducing the basics of using Maestro Bioluminate.
Video
Life Science
Video
Life Science
A Sneak Peek into Renumbering Residues and the Project Table in BioLuminate
The sixth video in the Getting Going with Maestro BioLuminate Video Series: renaming chains and residues, the Project Table.
Publications
- Publication
- May 9, 2025
Efficient long-range machine learning force fields for liquid and materials properties
Weber JL, et al. arXiv, 2025, Preprint- Publication
- Apr 18, 2025
Enabling in-silico Hit Discovery Workflows Targeting RNA with Small Molecules
Chopra, et al. Theoretical and Computational Chemistry, 2025, 1, Preprint- Publication
- Apr 17, 2025
Active Learning FEP: Impact on Performance of AL Protocol and Chemical Diversity
Lonsdale, et al. Journal of Chemical Theory and Computation, 2025Quick Reference Sheets
- Quick Reference Sheet
Advanced Structural Queries and SAR Techniques
Learn advanced approaches to structure querying in LiveDesign
- Quick Reference Sheet
Importing Structures from ChemDraw into LiveDesign
Use keyboard shortcuts to import structures from ChemDraw.
- Quick Reference Sheet
Exporting Structures, Plots, and LiveReports in LiveDesign
Compounds, plots, or whole LiveReports can be exported into various file formats.
Tutorials
- Tutorial
Structure-Based Virtual Screening using Glide
Prepare receptor grids for docking, dock molecules and examine the docked poses.
- Tutorial
Ligand Binding Pose Prediction for FEP+ using Core-Constrained Docking
Generate starting poses for FEP simulations for a series of BACE1 inhibitors using core constrained docking.
- Tutorial
Antibody Visualization and Modeling in BioLuminate
Visualize, build, and evaluate antibody models, analyze an antibody for various characteristics, dock an antigen to an antibody.
Webinars
Webinar
Life Science
- May 21, 2025
Advancing drug discovery programs with machine learning-enhanced de novo design
In this webinar, we will demonstrate how large-scale de novo design workflows in Schrödinger’s AutoDesigner, combined with rigorous free energy-based scoring methods, have been applied to several recent programs to overcome critical design challenges.
Webinar
Life Science
Materials Science
- May 14, 2025
Computational insights into polymer excipient selection for amorphous solid dispersions
In this webinar, we will highlight how molecular models can aid our ability to screen through standard polymer excipients for target lists to push into lab testing.
Webinar
Life Science
- May 14, 2025
MAY 14, 2025 | Schrödinger デジタル創薬セミナー17 | Schrödinger’s approach to physics-based antibody analysis and design
Schrödinger’s approach to physics-based antibody analysis and design
White Papers
White Paper
Life Science
- Oct 29, 2024
20 Years of Glide: A Legacy of Docking Innovation and the Next Frontier with Glide WS
Glide has long set the gold standard for commercial molecular docking software due to its robust performance in both binding mode prediction and empirical scoring tasks, ease of use, and tight integration with Schrödinger’s Maestro interface and molecular discovery workflows.
White Paper
Life Science
White Paper
Life Science
Latest insights from Extrapolations blog
With FEP+, “The Experiment is the Limit.”
Over the past century, small molecule drugs have represented the dominant modality in drug research, enabling medical breakthroughs that have saved countless lives.
Tackling Drug Solubility: AbbVie and Schrödinger Collaborate to Advance Accurate Prediction Methods
The complexity and size of drug candidates has grown in recent years as scientists pursue novel targets once considered undruggable.
Blog
Can AlphaFold Models be Used for Structure-Based Drug Design? A Perspective Two Years In
We recently sat down with Edward Miller, Senior Director of Protein Structure Modeling at Schrödinger, to discuss his experience using AlphaFold models for SBDD.
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.
Free learning resources
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