Webinar
Life Science
- May 12, 2022
AutoDesigner, a De Novo Design Algorithm for Rapidly Exploring Large Chemical Space for Lead Optimization
The lead optimization stage of a drug discovery program generally involves the design, synthesis, and assaying of hundreds to thousands of compounds.
Webinar
Life Science
Webinar
Life Science
Webinar
Life Science
- Feb 2, 2022
Trends in modern hit discovery: How your ultra-large screens can benefit from machine learning
While traditional structure-based virtual screening has been successful in finding diverse hits to advance projects there is significant room for improvement of hit rates, diversity of hit chemotypes, available IP space explored, and the potency of unoptimized hits.
Webinar
Life Science
- Nov 18, 2021
Optimizing Protein Stability Using New Computational Design Approaches for Biologics
Physical stability is a key determinant of the clinical and commercial success of biological therapeutics, vaccines, diagnostics, enzymes, and other protein-based products.
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.
Events
Webinar
Materials Science
- Jan 21, 2026
Formulation ML and Optimization: Making advanced property prediction and experimental design fast and accessible
We will showcase how easy it is to apply these tools using experimental datasets across broad MS applications, including formulations, consumer goods, batteries, pharmaceuticals, and beyond.
Webinar
Life Science
- Jan 29, 2026
From silos to synthesis: Fostering collaborative AI through platform integration with LiveDesign ML
Successfully leveraging AI investments demands a platform that delivers unparalleled predictive accuracy and seamless operationalization.
Event
Materials Science
- Feb 3rd-4th, 2026
3rd Industrial Polymers & CPG Summit 2026
We are pleased to invite you to the 3rd Industrial Polymers & CPG Summit. Mark your calendars for February 3-4, 2026, in the picturesque city of Heidelberg.
Webinars
Webinar
Life Science
- Jan 29, 2026
From silos to synthesis: Fostering collaborative AI through platform integration with LiveDesign ML
Successfully leveraging AI investments demands a platform that delivers unparalleled predictive accuracy and seamless operationalization.
Webinar
Life Science
- Dec 17, 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21回
MDシミュレーションによる化合物の膜透過性の予測
Webinar
Life Science
- Dec 10, 2025
Scaling FEP+ for success: Strategic deployment of FEP+ and AI/ML to accelerate chemical space exploration
Join us to map out your strategy for maximizing the organizational impact of FEP+ and to achieve the full potential of your computational drug discovery and business goals.
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 Prediction for FEP+
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.
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
- 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
- Publication
- Sep 17, 2025
Accurate hydration free energy calculations for diverse organic molecules with a machine learning force field
Xie, et al. ChemRxiv, 2025, 1, Preprint
Case Studies
Case Study
Life Science
Materials Science
Case Study
Life Science
Case Study
Life Science
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
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.
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