- 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
Modeling Receptor Binding in an Olfactory Protein
Learn how to prepare structures for docking and create a protein mutation by modeling an olfactory receptor.
Webinar
Life Science
- Sep 7, 2023
Design of a Highly Selective, Allosteric, Picomolar TYK2 Inhibitor in Clinical Development
In this webinar, we highlight key moments from the discovery of this potentially best-in-class selective, allosteric, picomolar inhibitor of TYK2.
White Paper
Life Science
Case Study
Life Science
Webinar
Life Science
- Jun 21, 2023
The Predict-First Paradigm: How Digital Chemistry is Changing Drug Discovery
In this webinar, we walk through the digital chemistry strategy used by Schrödinger’s Therapeutics Group, which has led to several successful clinical-stage drug candidates.
Webinar
Life Science
- Mar 14, 2023
Expect Success: Modern Virtual Screening Technologies that Actually Deliver High-Quality, Developable Hits
In this webinar, we describe several recent case studies from the Schrödinger Therapeutics Group where this modern large-scale virtual screening workflow resulted in double-digit hit rates across a diverse range of targets.
Webinar
Life Science
- Nov 24, 2022
Chinese: 2022薛定谔秋季中文生命科学网络讲座 | 用最新的基于物理计算方法为基于结构的药物研发开辟新天地
近年来，随着新的高预测性、基于物理理论方法的发展与其加速发现新型临床化合物能力的展现，基于结构的药物发现 (SBDD) 策略的价值得到提升。
White Paper
Life Science
White Paper
Life Science
White Paper
Life Science
Events
Event
Materials Science
- Feb 25th-26th, 2026
InventU Sustainable Future Congress 2026
Schrödinger is excited to be participating in the InventU Sustainable Future Congress conference taking place on February 25th – 26th in Amsterdam, Netherlands.
Webinar
Life Science
- Feb 26, 2026
Building a biotech: Enabling a successful digital drug discovery program with a connected platform
Join us to see how this powerful solution can accelerate your DMTA cycles and enable your teams – this isn’t about complex simulations, it’s about giving your team the tools they need to make better decisions, faster.
Event
Life Science
- Feb 26, 2026
Lunch & Learn: Advanced Solutions for Medicinal Chemistry Mannheim 2026
We are inviting you to join us in an interactive and free-of-charge session on Thursday, February 26th at our Mannheim Schrödinger Office.
Webinars
Webinar
Life Science
- Feb 26, 2026
Building a biotech: Enabling a successful digital drug discovery program with a connected platform
Join us to see how this powerful solution can accelerate your DMTA cycles and enable your teams – this isn’t about complex simulations, it’s about giving your team the tools they need to make better decisions, faster.
Webinar
Life Science
- Mar 18, 2026
デジタル創薬セミナー ~計算化学がもたらす創薬プロセスの変貌~ 第23回
Rethinking the rules: Exploiting solvent exposed salt-bridge interactions with free energy perturbation simulations for the discovery of potent inhibitors of SOS1
Webinar
Life Science
- Apr 28th-30th, 2026
Educator’s Week 2026
Join us for a series of live webinar presentations from leading educators at top academic institutions, as well as talks by Schrödinger scientists.
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
- 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
- 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