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
- 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
- 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
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.
Case Studies
Case Study
Life Science
Materials Science
Case Study
Life Science
Case Study
Life Science
Documentation
- Documentation
Learning Path: Computational Structure Prediction
A structured overview of tools and workflows for predicting biomacromolecular structures in whole or in part.
- Documentation
Learning Path: Virtual Screening
A structured overview of how to construct a virtual screening pipeline.
Events
Event
Life Science
- May 11th-16th, 2025
Display Week 2025
Schrödinger is excited to be participating in the Display Week 2025 conference taking place on May 11th – 16th in San Jose, California.
Event
Materials Science
- May 12th-13th, 2025
Spring Pharmaceutical Synchrotron X-ray Powder Diffraction Workshop
Schrödinger is excited to be participating in the Spring Pharmaceutical Synchrotron X-Ray Powder Diffraction workshop taking place on May 12th – 13th in Lemont, Illinois.
Webinar
Life Science
Materials Science
- May 14, 2025
Computational insights into polymer excipient selection for amorphous solid dispersions
In this webinar, we will highlight how molecular models can aid our ability to screen through standard polymer excipients for target lists to push into lab testing.
Product Videos
Video
Life Science
Getting Going with Maestro BioLuminate
A free video series introducing the basics of using Maestro Bioluminate.
Video
Life Science
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.
Publications
- Publication
- Apr 18, 2025
Enabling in-silico Hit Discovery Workflows Targeting RNA with Small Molecules
Chopra, et al. Theoretical and Computational Chemistry, 2025, 1, Preprint- 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- Publication
- Mar 5, 2025
A robust crystal structure prediction method to support small molecule drug development with large scale validation and blind study
Zhou, et al. Nature Communications, 2025, 16, 2210Quick Reference Sheets
- Quick Reference Sheet
Structure Reliability Report
A one-page guide to understanding the outputs of the Structure Reliability Report.
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
Webinar
Life Science
- May 21, 2025
Advancing drug discovery programs with machine learning-enhanced de novo design
In this webinar, we will demonstrate how large-scale de novo design workflows in Schrödinger’s AutoDesigner, combined with rigorous free energy-based scoring methods, have been applied to several recent programs to overcome critical design challenges.
Webinar
Life Science
Materials Science
- May 14, 2025
Computational insights into polymer excipient selection for amorphous solid dispersions
In this webinar, we will highlight how molecular models can aid our ability to screen through standard polymer excipients for target lists to push into lab testing.
Webinar
Life Science
- May 14, 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17回
Enabling cryoEM structures for drug discovery with the Schrödinger Suite
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