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.
Webinar
Life Science
Webinar
Life Science
- Jun 28, 2022
Molecular Modelling to Support Drug Formulation for Small Molecule and Biologic Drugs
Complementary use of machine learning and physics-based modeling contribute to the drug development and formulation process.
Webinar
Life Science
- Jun 16, 2022
Desmond分子动力学模拟 | Molecular Dynamics Simulations
Desmond分子动力学模拟”培训将演示Desmond分子动力学工作流程，其中包括
Events
Webinar
Materials Science
- Jul 23, 2026
Accelerating sustainable chemical innovation with physics-powered AI and predictive modeling
Join us for a webinar with Innovation Research Interchange and learn how the Fast-Moving Consumer Goods (FMCG) sector is currently navigating a significant transition driven by a global consumer shift toward “clean label” products and high-transparency ingredient lists.
Webinar
Life Science
- Jul 29, 2026
Standing out in a competitive landscape: The power of structure-based biologics design
Join our upcoming webinar to learn how to leverage advanced in silico methods to de-risk your molecules and increase your experimental success rates.
Event
Life Science
- Jul 30, 2026
Schrödinger Japan Life Sciences User Group Meeting 2026
新規テクノロジーの紹介を始め、実際の創薬プロジェクトでの活用事例を、国内外のユーザー様からのご発表を含めてご紹介します。
Webinars
Webinar
Life Science
- Jul 29, 2026
Standing out in a competitive landscape: The power of structure-based biologics design
Join our upcoming webinar to learn how to leverage advanced in silico methods to de-risk your molecules and increase your experimental success rates.
Webinar
Life Science
- May 27, 2026
Biologics modeling for wet lab scientists: Detecting and deprioritizing dead ends before they reach the bench recording
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
- Apr 30, 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
- 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