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
- 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.
Case Study
Life Science
Case Study
Life Science
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.
Case Study
Life Science
Webinar
Life Science
- May 26, 2022
Resolving Absolute Stereochemistry in Early Drug Discovery with VCD
Determining the absolute configuration of small molecules is important early in the drug discovery process.
- Tutorial
Computational Ellipsometry
Learn how to compute the refractive index and extinction coefficient of systems of organic optoelectronics.
- Publication
- Dec 13, 2024
In silico enabled discovery of KAI-11101, a preclinical DLK inhibitor for the treatment of neurodegenerative disease and neuronal injury
Lagiakos H.R., et al. J. Med. Chem., 2024- Publication
- Dec 10, 2024
Calculating apparent pKa values of ionizable lipids in lipid nanoparticles
Hamilton, et al. Molecular Pharmaceutics, 2024Case 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
Event
Materials Science
- Jul 13th-16th, 2025
IFT First Annual Event and Expo 2025
Schrödinger is excited to be participating in the IFT First Annual Event and Expo 2025 conference taking place on June 13th – 16th in Chicago, Illinois.
Event
Materials Science
- Jul 14th-18th, 2025
CRS 2025
Schrödinger is excited to be participating in the CRS Annual Meeting 2025 taking place on July 14th – 18th in Philadelphia, Pennsylvania.
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
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
- 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
- May 9, 2025
Efficient long-range machine learning force fields for liquid and materials properties
Weber JL, et al. arXiv, 2025, Preprint- Publication
- Apr 18, 2025
Enabling in-silico Hit Discovery Workflows Targeting RNA with Small Molecules
Chopra, et al. Theoretical and Computational Chemistry, 2025, 1, PreprintQuick Reference Sheets
- 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.
- Quick Reference Sheet
Group Meeting LiveReport
Develop a workflow to allow individuals to triage ideas for group discussion and decision making.
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
- 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
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
- Jun 25, 2025
How to find a druggable target: A computational perspective
Join us in this beginner-friendly webinar that will introduce you to strategies and best-in-class tools for identifying druggable, technology-enabled targets.
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