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.
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.
Case Studies
Case Study
Life Science
Materials Science
Case Study
Life Science
Case Study
Life Science
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.
Events
Webinar
Materials Science
- Nov 18, 2025
Digital forum on atomic layer deposition: Bridging theory and experiment to design a process for silicon carbonitride
Join us as we discuss how effectively theory and experiment are working together to solve the R&D challenges facing high-tech industries.
Webinar
Life Science
- Nov 19, 2025
FEP+ State of the Union: Advancing computational rigor and scaling predictivity in drug discovery
In this webinar, Robert Abel, Schrödinger’s chief scientific officer, and Schrödinger’s FEP+ experts will provide an in-depth analysis of FEP+’s latest accuracy benchmarks and its expanding domain of applicability, maintaining its position as the gold standard in the industry.
Event
Life Science
- Nov 19, 2025
Lunch & Learn: Advanced Solutions for Medicinal Chemistry
We are inviting you to join us in an interactive and free-of-charge session on Thursday, October 23rd at the Radisson Blu Hotel, Basel for an extended version of our Lunch and Learn series.
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, PreprintQuick 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+
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
- Nov 19, 2025
FEP+ State of the Union: Advancing computational rigor and scaling predictivity in drug discovery
In this webinar, Robert Abel, Schrödinger’s chief scientific officer, and Schrödinger’s FEP+ experts will provide an in-depth analysis of FEP+’s latest accuracy benchmarks and its expanding domain of applicability, maintaining its position as the gold standard in the industry.
Webinar
Life Science
Materials Science
- Nov 26, 2025
医薬品原薬形態開発における計算手法の活用
NOV 26, 2025 | 演者が考える研究段階から開発段階にかけての原薬形態選択の戦略の全体像を概説し、さらにデザインスペースの構築に計算的手法を用いた共結晶スクリーニングと、結晶構造予測による原薬形態のリスク評価の実例を紹介します。
Webinar
Life Science
- Dec 2, 2025
Rethinking the rules: Exploiting solvent exposed salt-bridge interactions with free energy perturbation simulations for the discovery of potent inhibitors of SOS1
In this webinar, we will walk you through the SOS1 program, as well as our exploration of other examples where these salt-bridge interactions are influential.
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