Webinar
Life Science
- Jun 15, 2023
Computational drug design and chemo-informatics: a hands-on course at the University of Antwerp
During the theoretical sessions, students learn about chemo-informatics and virtual screening, which includes concepts such as chemical fingerprints, molecular similarity, clustering, machine learning models, and virtual screening performance metrics.
Webinar
Life Science
- May 9, 2023
Into the Clinic: Developing potent and selective kinase inhibitors using at-scale FEP and protein FEP: a Wee1 case study
In this webinar, we discuss the discovery of novel Wee1 kinase inhibitors using a strategy that couples ligand free energy calculations with protein free energy calculations to simultaneously find promising chemical matter and de-risk for off-target liabilities.
Webinar
Life Science
- Apr 27, 2023
Advancing a Pipeline of Drug Discovery Programs Using Diverse Machine Learning Strategies Coupled with Physics-Based Simulations
In this webinar, we describe how we are integrating machine learning strategies with physics-based modeling technologies within Schrödinger’s Therapeutics Group.
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
- Dec 7, 2022
Chinese: 2022薛定谔秋季中文生命科学网络讲座 | 基于物理理论的计算模拟 – 如何准确预测小分子晶体的结构和溶解度
对固态科学家来说，药物晶体形式的改变是药物研发后期甚至上市后是非常严重的，打击性极强的问题。
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。
Webinar
Life Science
- Nov 10, 2022
Chinese: 2022薛定谔秋季中文生命科学网络讲座 | 薛定谔计算模拟技术助力新型 D-氨基酸氧化酶抑制剂的发现
D-Serine是N-甲基d-天冬氨酸 (NMDA) 受体的共激动剂，而NMDA受体是一种关键的兴奋性神经递质受体。
Webinar
Life Science
- Oct 27, 2022
Chinese: 2022薛定谔秋季中文生命科学网络讲座 | AutoDesigner，一种通过快速探索大型化学空间来优化先导化合物的从头设计算法
这算法值需要单个有活性数据和假想结合模式的小分子，非常适合早期数据贫乏的SBDD项目。
Webinar
Life Science
Webinar
Life Science
- Oct 20, 2022
Accelerating Antibody Drug Discovery Through Computational Modeling
In this webinar, we provide an overview of computational modeling strategies for antibody design.
Webinar
Life Science
- Oct 13, 2022
Chinese: 应用薛定谔计算平台加速SGR-1505，治疗复发或难治性B细胞淋巴瘤的MALT1异生抑制剂
MALT1 被认为是几种亚型非霍奇金 B 细胞淋巴瘤和慢性淋巴细胞白血病 (CLL) 的潜在治疗靶点。
Webinar
Life Science
- Sep 8, 2022
Accelerating Digital Drug Design With Automated Informatics Workflow
In this webinar, research leaders from Maze Therapeutics and Indiana Biosciences Research Institute (IBRI) will discuss their best practices in managing and deriving insights from complex data.
Events
Event
Materials Science
- Oct 12th-15th, 2026
The Battery Show 2026
Schrödinger is excited to be participating in the The Battery Show 2026 conference taking place on October 12th – 15th in Detroit, Michigan.
Event
Life Science
- Oct 13th-15th, 2026
Festival of Biologics Basel 2026
Schrödinger is excited to be participating in the Festival of Biologics 2026 conference taking place on October 13th – 15th in Basel, Switzerland.
Event
Materials Science
- Oct 14th-16th, 2026
CECAM Workshop 2026
Schrödinger is thrilled to serve on the organizing committee for the upcoming workshop, “Coarse-Graining in the Age of Machine Learning and Molecular Design” on October 14th – 16th in Lyon, France.
Webinars
Webinar
Life Science
- Oct 22, 2026
Advanced chemical space exploration for the discovery of mutant-selective EGFR inhibitors
In this webinar, Schrödinger’s medicinal and computational chemists will show how they tackled the EGFR triple-mutant problem by coupling industry-leading free energy perturbation technology (FEP+) with de novo design workflows to effectively explore novel chemical space and identify reversible inhibitor scaffolds.
Webinar
Life Science
- Nov 5, 2026
Schrödinger 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25回
Schrödingerの計算化学プラットフォームによるタンパク質設計技術の紹介と、課題対応・開発加速への活用法を詳しく解説します。
Webinar
Life Science
Materials Science
- Sep 23, 2026
Bunsen: Where Validated Scientific Workflows Meet Agentic AI
Join Schrödinger CTO Pat Lorton for an introduction to Bunsen. Pat will share how Bunsen allows researchers to set up, run, and troubleshoot multi-stage workflows without command-line friction or manual setup.
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
- Tutorial
- Video
The LiveDesign Assistant
Learn how to build and adjust coloring rules, create Freeform and Formula columns, and plot data using the LiveDesign Assistant.
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