- Tutorial
- Video
R-Group Enumeration in LiveDesign
Explore the chemical space around a scaffold using R-group libraries.
- Tutorial
- Video
Reaction-Based Enumeration Using a Provided Reaction
Select a Schrödinger reaction, configure reactants, explore reaction output options, and generate enumerated products.
- Tutorial
- Video
Free Wilson Analysis
Identify high-impact R-group transformations and visualize SAR data to drive the next phase of ideation.
- Tutorial
- Video
Create a Multi-Parameter Optimization (MPO) for ADME Analysis
Learn how to add and configure a Multi-Parameter Optimization column (MPO) to evaluate compounds using multiple properties.
Video
Life Science
Introduction to Workspace Toggles and the Structure Hierarchy in BioLuminate
The fifth video in the Getting Going with Maestro BioLuminate Video Series: workspace toggles, the Structure Hierarchy, Adding Antibody Annotations to the Structure Hierarchy, and performing measurements.
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.
Video
Life Science
Interacting with and Favoriting Applications in BioLuminate
The fourth video in the Getting Going with Maestro BioLuminate Video Series: favorites toolbar, navigating the Tasks menu.
Video
Life Science
Interacting with Objects and Applications in BioLuminate
The third video in the Getting Going with Maestro BioLuminate Video Series: ways to use right-clicks in BioLuminate, managing surfaces.
Video
Life Science
Importing and Rendering Structures in BioLuminate
The second video in the Getting Going with Maestro BioLuminate Video Series: importing structures from the Protein Data Bank (PDB), selection and inclusion and workspace styling options.
Video
Life Science
Setting up a BioLuminate Project
The first video in the Getting Going with Maestro BioLuminate Video Series: changing your working directory, saving projects, and more.
Video
Life Science
Setting up a Maestro Project
The first video in the Getting Going with Maestro Video Series: the working directory, saving a project, and customizing mouse actions.
Video
Life Science
Targeted R-Group Enumeration with the Ligand Designer in Maestro
The eleventh video in the Getting Going with Maestro Video Series: R-Group Enumeration and docking with the Ligand Designer, customizing an MPO, post-processing Ligand Designer outputs.
Events
Webinar
Life Science
- Jul 29, 2026
Standing out in a competitive landscape: The power of structure-based biologics design
Join our upcoming webinar to learn how to leverage advanced in silico methods to de-risk your molecules and increase your experimental success rates.
Event
Life Science
- Jul 30, 2026
Schrödinger Japan Life Sciences User Group Meeting 2026
新規テクノロジーの紹介を始め、実際の創薬プロジェクトでの活用事例を、国内外のユーザー様からのご発表を含めてご紹介します。
Event
Materials Science
- Aug 11th-18th, 2026
IUCr2026
Schrödinger is excited to be participating in the IUCr2026 conference taking place on August 11th – 18th in Calgary, Alberta, Canada.
Webinars
Webinar
Life Science
- Jul 29, 2026
Standing out in a competitive landscape: The power of structure-based biologics design
Join our upcoming webinar to learn how to leverage advanced in silico methods to de-risk your molecules and increase your experimental success rates.
Webinar
Life Science
- May 27, 2026
Biologics modeling for wet lab scientists: Detecting and deprioritizing dead ends before they reach the bench recording
Join us to learn how to detect and deprioritize high-risk candidates, effectively discarding developability dead-ends before they ever reach the bench.
Webinar
Life Science
- Apr 30, 2026
Educator’s Week 2026
Join us for a series of live webinar presentations from leading educators at top academic institutions, as well as talks by Schrödinger scientists.
Documentation
- Documentation
Learning Path: Oligonucleotide Modeling
A structured overview of tools and workflows for nucleic acids in drug discovery.
- Documentation
WaterMap
Efficiently converged MD simulations are run with explicit water molecules, and resultant trajectories are analyzed to cluster hydration sites.
- Documentation
SiteMap
Identify binding sites, including allosteric binding sites and protein-protein interfaces, and evaluate their druggability.
Tutorials
- Tutorial
Structure-Based Virtual Screening using Glide
Prepare receptor grids for docking, dock molecules and examine the docked poses.
- Tutorial
Ligand Binding Pose Generation for FEP+
Generate starting poses for FEP simulations for a series of BACE1 inhibitors using core constrained docking.
- Tutorial
Homology Modeling of Protein-Ligand Binding Sites with IFD-MD
Create a homology model of TYK2 from JAK3 and including a bound ligand. Compare this model with the crystal structure for TYK2 bound to 4GIH.
Training Videos
Video
Life Science
Getting Going with Maestro BioLuminate
A free video series introducing the basics of using Maestro Bioluminate.
Video
Life Science
- Tutorial
- Video
The LiveDesign Assistant
Learn how to build and adjust coloring rules, create Freeform and Formula columns, and plot data using the LiveDesign Assistant.
Publications
- Publication
- May 8, 2026
Discovery of 2H-Pyrrolo[3,4-c]pyridin-3-one Derivatives as Type-III c-MET Inhibitors Enabled by Free-Energy Perturbation CalculationsCl
Therrien, et al. ACS Medicinal Chemistry Letters, 2026
- Publication
- Apr 8, 2026
Structure-Based Discovery of Imidazo[4,5-c]pyridine SARM1 Modulators Showing Paradoxical Activation
Albanese, et al. Journal of Medicinal Chemistry, 2026, 69(8), 9521–9536
- Publication
- Mar 21, 2026
Structure-Based Calculation of Excipient Effects on the Viscosity of Concentrated Antibody Solutions
Shelley, et al. mAbs, 2026, 18(1)
Case Studies
Case Study
Life Science
Materials Science
Case Study
Life Science
Case Study
Life Science
White Papers
White Paper
Life Science
- Jan 29, 2026
FEP+ Pose Builder — maximizing utility and productivity in FEP simulations
FEP+ Pose Builder is a methodological advancement introduced as an integrated feature to drastically enhance accessibility, user-friendliness, and productivity within the FEP+ pipeline.
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
Quick Reference Sheets
- Quick Reference Sheet
Force Field Builder
A one-page guide to calculate missing torsion parameters for ligands using the Force Field Builder panel.
- Quick Reference Sheet
Ligand Interaction Diagram
A one-page guide to using the Ligand Interaction Diagram for examining ligand-receptor interactions.
- Quick Reference Sheet
GlideMap
A one-page guide to using the GlideMap GUI for ligand placement guided by experimental density.
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