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Getting Going with Maestro BioLuminate Video Life Science
Getting Going with Maestro BioLuminate

A free video series introducing the basics of using Maestro Bioluminate.

Getting Going with Maestro Video Life Science
Getting Going with Maestro

A free video series introducing the basics of using Maestro.

  • Video
Introducing Ligand Designer

An overview of the LigandDesigner workflow, Editing in 2D and 3D, using display options and overlays, and accessing the Admin Panel.

  • Video
Introducing the 2D Sketcher

An overview of modes, shortcut keys, mouse actions, and right-click menus.

  • Video
Sample Workflows for Collaborative Drug Design

Using templates, ideating, using Freeform Columns to share ideas with colleagues, using the GPU Similarity Tool, and setting up MPOs.

  • Video
Organize Data and Collaborate Effectively Pt. 2

A case study exercise following a project team in LiveDesign and an overview of the LiveDesign interface.

  • Video
Organize Data and Collaborate Effectively Pt. 1

A high-level, conceptual introduction to LiveDesign, and collaboration with LiveDesign.

Setting up a BioLuminate Project 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.

A Sneak Peek into Renumbering Residues and the Project Table in BioLuminate 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.

Introduction to Workspace Toggles and the Structure Hierarchy in BioLuminate 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.

Interacting with and Favoriting Applications in BioLuminate 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.

Interacting with Objects and Applications in BioLuminate 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.

Case Studies

Documentation

  • 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.

  • Documentation
Shape Screening

A ligand-based workflow for efficiently screening ultra-large purchasable or synthesizable compound libraries.

Events

ACS Fall 2025 Event Materials Science
  • Aug 17th-21st, 2025
ACS Fall 2025

Schrödinger is excited to be participating in the ACS Fall 2025 conference taking place on August 17th – 21st in Washington, D.C.

IMID 2025 Event Materials Science
  • Aug 19th-22nd, 2025
IMID 2025

Schrödinger is excited to be participating in the 25th International Meeting on Information Display conference taking place on August 19th – 22nd in Busan, Korea.

5th Summer School on Cheminformatics 2025 Event Life Science Materials Science
  • Aug 25th-29th, 2025
5th Summer School on Cheminformatics 2025

Schrödinger is excited to be participating in the 5th Summer School on Cheminformatics 2025 conference taking place on August 25th – 29th in Hamburg, Germany.

Learning Paths

  • Learning Path
Learning Path: Oligonucleotide Modeling

A structured overview of tools and workflows for nucleic acids in drug discovery.

  • Learning Path
Learning Path: Computational Structure Prediction

A structured overview of tools and workflows for predicting biomacromolecular structures in whole or in part.

  • Learning Path
Learning Path: Virtual Screening

A structured overview of how to construct a virtual screening pipeline.

Training Videos

Getting Going with Maestro BioLuminate Video Life Science
Getting Going with Maestro BioLuminate

A free video series introducing the basics of using Maestro Bioluminate.

Getting Going with Maestro Video Life Science
Getting Going with Maestro

A free video series introducing the basics of using Maestro.

  • Video
Introducing Ligand Designer

An overview of the LigandDesigner workflow, Editing in 2D and 3D, using display options and overlays, and accessing the Admin Panel.

Publications

  • Publication
  • Jul 8, 2025
Enabling in-silico Hit Discovery Workflows Targeting RNA with Small Molecules
Chopra, et al. J Chem Inf Model, 2025, 1, 40626899
  • 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, 2025

Quick Reference Sheets

  • Quick Reference Sheet
GlideMap

A one-page guide to using the GlideMap GUI for ligand placement guided by experimental density.

  • Quick Reference Sheet
Synthesis Queue LiveReport

Use Freeform columns to track the status of compounds in a synthesis queue.

  • Quick Reference Sheet
Modeling Queue LiveReport

Learn how to use Freeform columns and an Auto-Update Search to create compound progression workflows.

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

Innovations in Digital Chemistry: Computational Approaches for Drug & Materials Discovery Webinar Life Science Materials Science
  • Sep 2nd-16th, 2025
Innovations in Digital Chemistry: Computational Approaches for Drug & Materials Discovery

This webinar series will explore how cutting-edge computational methods are revolutionizing the design and optimization of pharmaceutical drugs, biologics , and advanced materials.

Schrödinger デジタル創薬セミナー: Into the Clinic ~計算化学がもたらす創薬プロセスの変貌~ 第19回 Webinar Life Science
  • Sep 24, 2025
Schrödinger デジタル創薬セミナー: Into the Clinic ~計算化学がもたらす創薬プロセスの変貌~ 第19回

Computational strategies for discovering and optimizing RNA- and DNA-targeting molecules

Industry-leading platform to discover and optimize better molecules, faster Webinar Life Science
  • Jul 30, 2025
In silico cryptic binding site detection and prioritization

In this webinar, we will introduce a novel computational workflow that integrates mixed solvent molecular dynamics (MxMD) with SiteMap to reveal and identify cryptic binding sites.

White Papers

20 Years of Glide: A Legacy of Docking Innovation and the Next Frontier with Glide WS 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.

QuickShape screening in the age of ultra-large libraries  White Paper Life Science
Jaguar for Life Science White Paper Life Science

Latest insights from Extrapolations blog

With FEP+, “The Experiment is the Limit.”
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 (FEP)
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.

Can AlphaFold Models be Used for Structure-Based Drug Design? A Perspective Two Years In 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.