Webinar
Life Science
- Oct 17, 2024
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13回
OCT 17, 2024 | Broadly Impacting Biologics Discovery via Physics-Based Modeling: Antibody Affinity, pH-Sensing and More
Webinar
Life Science
- Oct 15, 2024
Schrödinger Software 2024-3 新機能紹介ウェビナーアーカイブ配信
SEPT 3, 2024 | この度、最新版となる2024-3をリリースいたしました。本ウェビナーでは、主要な新機能についてご紹介いたします。
Webinar
Life Science
Materials Science
- Oct 9, 2024
Molecular-level insight into solubility-enhancement via cosolvents and amorphous solid dispersions
In this webinar, we highlight how molecular models can aid our ability to anticipate challenges prior to candidate selection as well as to quickly understand issues that arise in later stages of development.
Webinar
Life Science
Materials Science
- Sep 25, 2024
Computational reactivity and catalysis for drug synthesis
In this webinar, will take an in-depth look at how computational modeling is transforming pharmaceutical synthesis.
Webinar
Life Science
- Sep 18, 2024
アーカイブ配信: QuickShape Screening in the Age of Ultra-large Libraries
手軽に入手できる化合物の数が急速に増加する一方、創薬ターゲットに実際に作用する新規化合物探索のニーズは依然として高いままです。
Webinar
Life Science
- Sep 12, 2024
Accelerated in silico discovery of SGR-1505: A potent MALT1 allosteric inhibitor for the treatment of mature B-cell malignancies
This webinar series features conversations with veteran drug hunters who share their unique drug discovery stories, from idea to development candidate.
Webinar
Life Science
Materials Science
- May 14, 2025
Computationally-Guided Drug Formulation Webinar Series
In this webinar series, we explore how the latest computational modeling tools are impacting the various steps in the pharmaceutical formulation process.
Webinar
Life Science
Materials Science
- Sep 11, 2024
Characterizing small drug-like molecules with automated computational spectra prediction
In this webinar, we present examples that demonstrate the use of Jaguar Spectroscopy to typical modeling scenarios involving flexible drug-like molecules.
Webinar
Life Science
- Sep 5, 2024
アーカイブ配信: Efficient Prediction of Drug-Target Residence Time Using Enhanced Sampling Techniques
リガンド結合における速度論は創薬においてますます重要であると認識されています。
Webinar
Life Science
- Aug 13, 2024
Empowering scientists with integrated AI/ML modeling for rapid molecular property predictions
In this webinar, we present LiveDesign ML, a new module in Schrödinger’s LiveDesign collaborative enterprise informatics platform, for training and deploying state-of-the-art AI/ML models with minimal manual intervention.
Webinar
Life Science
Webinar
Life Science
Events
Webinar
Materials Science
- Jun 2, 2026
Accessible and automated computational catalyst discovery and reactivity optimization
In this webinar, we will demonstrate how an end-user physics–AI platform removes barriers to entry, making this process accessible to both experts and non-experts while enabling seamless scalability.
Event
Life Science
- Jun 2nd-4th, 2026
Computational and Medicinal Chemistry by the Lake 2026
Schrödinger is excited to be participating in the Computational and Medicinal Chemistry by the Lake 2026 conference taking place on June 2nd – 4th in Kuopio, Finland.
Webinar
Materials Science
- Jun 3, 2026
A predictive modeling platform for studying degradation, reactivity, and catalysis of small molecule active pharmaceutical ingredients
In this webinar, we present recent advances in automated, end-to-end solutions for studying degradation, reactivity, and catalysis of active pharmaceutical ingredients (APIs).
Webinars
Webinar
Life Science
- Jun 3, 2026
Biologics modeling for wet lab scientists: Detecting and deprioritizing dead ends before they reach the bench
Join us to learn how to detect and deprioritize high-risk candidates, effectively discarding developability dead-ends before they ever reach the bench.
Webinar
Life Science
- Jun 4th-11th, 2026
Generative Glide: AI-driven ultra-large virtual screening for real-world drug discovery
Join us as we go beyond slides and run a demo of the workflow, showing how Generative Glide performs in practice from setup through results.
Webinar
Life Science
- Jun 10th-16th, 2026
Expanding RetroSynth: Dynamic AI-driven synthesis planning proven to move your designs from bench to synthesis
In this webinar, we revisit RetroSynth, Schrödinger’s AI-powered solution for intelligent synthesis planning.
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
- May 8, 2026
Discovery of 2H-Pyrrolo[3,4-c]pyridin-3-one Derivatives as Type-III c-MET Inhibitors Enabled by Free-Energy Perturbation CalculationsCl
Therrien, et al. ACS Medicinal Chemistry Letters, 2026
- Publication
- Apr 8, 2026
Structure-Based Discovery of Imidazo[4,5-c]pyridine SARM1 Modulators Showing Paradoxical Activation
Albanese, et al. Journal of Medicinal Chemistry, 2026, 69(8), 9521–9536
- Publication
- Mar 21, 2026
Structure-Based Calculation of Excipient Effects on the Viscosity of Concentrated Antibody Solutions
Shelley, et al. mAbs, 2026, 18(1)
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