Webinar
Life Science
- Aug 31, 2021
Limited Experimental Data? No Problem: Machine Learning and Physics in Preclinical Drug Discovery
In this webinar, we provide three practical examples of the application of machine learning in active drug discovery programs.
Webinar
Life Science
Webinar
Life Science
- Jul 14, 2021
SARS-CoV-2 main protease inhibitors: Physics-based approaches to the discovery of COVID-19 antivirals
In this webinar, we focus on the medicinal and computational chemistry driven discovery of main protease inhibitors.
Webinar
Life Science
- Nov 5, 2016
An Introduction to Automating Workflows with KNIME
In this webinar, we give a brief overview on how to get started with KNIME and use Schrödinger Nodes to create workflows for use within KNIME and Maestro.
Webinar
Life Science
- Jun 15, 2021
Design and Optimization of Biologics Driven by Physics-Based Computational Modeling
In this webinar, we address the important role that computational modeling can play in accelerating the discovery and development of novel biologics.
Webinar
Life Science
Webinar
Life Science
- Nov 5, 2018
Creating workflows with KNIME – Beyond the basics
In this webinar, we introduce some more advanced concepts to help you create more complex workflows.
Webinar
Life Science
- Feb 23, 2021
Improving Protein-Ligand Modeling into Cryo-EM Data and the use of those Models in Drug Discovery Efforts
Producing an accurate atomic model of protein-ligand interactions from the data generated by cryo-electron microscopy is often a challenging problem due to a combination of the noise in the experiment and the dynamic nature of protein-ligand binding.
Webinar
Life Science
- Jul 16, 2020
Computer-aided Formulation Development for Small-molecule Drugs
In this webinar, we discuss the key areas of formulations science powered by the latest computation chemistry technology, including analysis of chemical processes, assessment of intermolecular interactions in particle/drug systems, and automated in silico property characterization.
Webinar
Life Science
- Jul 13, 2020
Active Learning Glide – Screen Billions of Compounds Efficiently and Cost Effectively
In this webinar, we illustrate how using an Active Learning approach combined with Glide enables cost effective and accurate screening of billion compound libraries.
Webinar
Life Science
- Jul 8, 2020
Enzymes by Design: Structure-based Methods for Modeling Enzymes
An overview of how the Schrödinger technology can be used to optimize enzymes using structure-based rational design.
Webinar
Life Science
- May 27, 2020
Antibody modeling with the Schrödinger Platform
This webinar presents the tools available in BioLuminate to model antibody structures, covering homology modeling, humanization, antigen-antibody docking, liability prediction, and in silico mutations.
Events
Event
Materials Science
- Apr 16, 2026
2026 CMC Conference
Schrödinger is excited to be participating in the 2026 CMC Conference conference taking place on April 14th – 16th in Portland, Oregon.
Event
Materials Science
- Apr 16, 2026
In-Cosmetics Global 2026
Schrödinger is excited to be participating in the In-Cosmetics Global 2026 conference taking place on April 14th – 16th in Paris, France.
Webinar
Life Science
- Apr 16, 2026
Amplifying medicinal chemist impact with large-scale ideation, FEP+, machine learning, and retrosynthesis through LiveDesign
Join us to see how Schrödinger’s Enterprise Informatics Platform, LiveDesign, serves as the single terminal to bridge this gap.
Webinars
Webinar
Life Science
- Apr 16, 2026
Amplifying medicinal chemist impact with large-scale ideation, FEP+, machine learning, and retrosynthesis through LiveDesign
Join us to see how Schrödinger’s Enterprise Informatics Platform, LiveDesign, serves as the single terminal to bridge this gap.
Webinar
Life Science
- Apr 21, 2026
The unified antibody workbench: Optimizing antibody candidate selection through centralized team collaboration
Join us for an interactive webinar where we showcase the power of LiveDesign for Biologics in a live demo and walk you through how you can quickly start benefiting from this powerful enterprise informatics platform today!
Webinar
Life Science
- Apr 23, 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.
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
- 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
- Dec 3, 2025
Glide WS: Methodology and Initial Assessment of Performance for Docking Accuracy and Virtual Screening
Friesner, et al. Journal of Chemical Theory and Computation, 2025, 21(24), 12696–12708
- Publication
- Oct 13, 2025
Accelerated in silico discovery of SGR-1505: A potent MALT1 allosteric inhibitor for the treatment of mature B-cell malignancies
Nie Z, et al. J. Med. Chem., 2025
- Publication
- Oct 12, 2025
Discovery of highly potent noncovalent inhibitors of SARS-CoV-2 main protease through computer-aided drug design
Okabe A, et al. J Med Chem, 2025
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