Webinar
Life Science
- Feb 28, 2024
Accurate modeling of receptor functional response: GPCRs and beyond
In this webinar, we present a tractable and computationally efficient protocol that can accurately and reliably predict the functional response of a receptor to ligand binding.
Webinar
Life Science
- Jan 25, 2024
Impacting Drug Discovery Programs with Large-Scale De Novo Design
Developing technologies to more comprehensively and effectively enable de novo design of high-quality chemical matter has been a long-standing goal of drug discovery.
Webinar
Life Science
- Dec 20, 2023
Chinese Webinar: 薛定谔中文讲座：DLK在计算机辅助药物设计中的案例研究 ，网络讲座录制 计算机驱动用于治疗神经退行性疾病的高效、高选择性和穿透脑血屏障的DLK抑制剂的发现
双亮氨酸拉链激酶（DLK）（又名MAP3K12）是混合系谱激酶（MLK）家族的成员，它包含一个N-末端激酶结构域，后面跟着两个亮氨酸拉链结构域以及一个富含甘氨酸/丝氨酸/脯氨酸的C-末端结构域。它主要在神经元细胞中表达，特别是在神经元的突触末端和轴突中
Webinar
Life Science
- Dec 7, 2023
In silico enabled discovery of KAI-11101, a potent, selective, and brain-penetrant DLK inhibitor for the treatment of neurodegenerative diseases
In this webinar, we detail the program led by Schrödinger Therapeutics Group to discover a novel, potent, selective, and brain-penetrant DLK inhibitor (KAI-11101).
Webinar
Life Science
- Nov 8, 2023
In Silico Driven Drug Discovery of a Zwitterionic Integrin αvβ6 Development Candidate for Fibrosis
In this webinar, discover how in silico techniques combined with traditional medicinal chemistry approaches are applied in a structure-based drug discovery program.
Webinar
Life Science
- Oct 4, 2023
Leveraging machine learning applications combined with physics-based modeling for drug discovery
Machine learning strategies in drug discovery are becoming increasingly popular and can be used in various areas.
Webinar
Life Science
- Sep 28, 2023
Structure-Based Drug Discovery Without a Structure: Enabling Accurate FEP+ Predictions for Challenging Targets and ADMET Anti-Targets
In this webinar, we showcase the successful utilization of unique technologies and dedicated workflows to enable accurate FEP+ predictions.
Webinar
Life Science
- Sep 14, 2023
Beyond the Lab: Unleashing the Potential of In Silico Modeling in Drug Product Formulation
In this webinar, we explore Schrödinger’s leading molecular modeling and machine learning platform.
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.
Webinar
Life Science
- Sep 6, 2023
Chinese: Physics-based Design of Bifunctional Degraders, Virtual 基于物理理论设计的双功能降解剂，网络讲座录制
具有两个配体和一个 Linker 的双功能 分子能够结合E3连接酶与靶蛋白，从而促使靶蛋白降解。
Webinar
Life Science
- Jul 20, 2023
Japanese: 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~
Mucosa-associated Lymphoid Tissue Lymphoma Translocation Protein 1 (MALT1) is a genetically validated target for the treatment of diseases associated with lymphocyte regulation.
Webinar
Life Science
Case Studies
Case Study
Life Science
Materials Science
Case Study
Life Science
Case Study
Life Science
Documentation
- 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.
- Documentation
Shape Screening
A ligand-based workflow for efficiently screening ultra-large purchasable or synthesizable compound libraries.
Events
Webinar
Materials Science
- Aug 6, 2025
Advancing machine learning force fields for materials science applications
In this webinar, we will introduce Schrödinger’s state-of-the-art MLFF architecture, called Message Passing Network with Iterative Charge Equilibration (MPNICE), which incorporates explicit electrostatics for accurate charge representations.
Event
Materials Science
- Aug 7th-9th, 2025
Display Innovation China 2025
Schrödinger is excited to be participating in the Display Innovation China (DIC) conference taking place on August 7th – 9th in Shanghai, China.
Event
Materials Science
- Aug 17th-21st, 2025
ACS Fall 2025
Schrödinger is excited to be participating in the ACS Fall 2025 conference taking place on August 17th – 21st in Washington, D.C.
Learning Paths
- Learning Path
Learning Path: Oligonucleotide Modeling
A structured overview of tools and workflows for nucleic acids in drug discovery.
- Learning Path
Learning Path: Computational Structure Prediction
A structured overview of tools and workflows for predicting biomacromolecular structures in whole or in part.
- Learning Path
Learning Path: Virtual Screening
A structured overview of how to construct a virtual screening pipeline.
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
- Jul 8, 2025
Enabling in-silico Hit Discovery Workflows Targeting RNA with Small Molecules
Chopra, et al. J Chem Inf Model, 2025, 1, 40626899- Publication
- Jun 5, 2025
STX-721, a Covalent EGFR/HER2 Exon 20 Inhibitor, Utilizes Exon 20–Mutant Dynamic Protein States and Achieves Unique Mutant Selectivity Across Human Cancer Models
Pagliarini, et al. Translational Cancer Mechanisms and Therapy, 2025- 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, 2025Quick Reference Sheets
- Quick Reference Sheet
GlideMap
A one-page guide to using the GlideMap GUI for ligand placement guided by experimental density.
- Quick Reference Sheet
Synthesis Queue LiveReport
Use Freeform columns to track the status of compounds in a synthesis queue.
- Quick Reference Sheet
Modeling Queue LiveReport
Learn how to use Freeform columns and an Auto-Update Search to create compound progression workflows.
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
Materials Science
- Sep 2nd-16th, 2025
Innovations in Digital Chemistry: Computational Approaches for Drug & Materials Discovery
This webinar series will explore how cutting-edge computational methods are revolutionizing the design and optimization of pharmaceutical drugs, biologics , and advanced materials.
Webinar
Life Science
- Jul 30, 2025
In silico cryptic binding site detection and prioritization
In this webinar, we will introduce a novel computational workflow that integrates mixed solvent molecular dynamics (MxMD) with SiteMap to reveal and identify cryptic binding sites.
Webinar
Life Science
- Jul 16, 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18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