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In silico enabled discovery of KAI-11101, a potent, selective, and brain-penetrant DLK inhibitor for the treatment of neurodegenerative diseases 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).

Amplify discovery across vast chemical space 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.

Structure-Based Drug Discovery Without a Structure: Enabling Accurate FEP+ Predictions for Challenging Targets and ADMET Anti-Targets 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.

Beyond the Lab: Unleashing the Potential of In Silico Modeling in Drug Product Formulation 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.

Design of a Highly Selective, Allosteric, Picomolar TYK2 Inhibitor in Clinical Development 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.

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 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。

In Silico Driven Drug Discovery of Integrin Inhibitors for Unmet Medical Need Webinar Life Science
Case-study_MALT1-inhibitor 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.

Chinese: LiveDesign 转变合作式的药物发现 | LiveDesign transforming collaborative drug discovery Webinar Life Science
  • Jul 7, 2023
Chinese: LiveDesign 转变合作式的药物发现 | LiveDesign transforming collaborative drug discovery

In this webinar, we present a demonstration of our enterprise informatics platform solution, LiveDesign, which brings together assay data, model results, idea capture, and collaborative workflows to accelerate the drug discovery and design process

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~ 第2回 Webinar Life Science
  • Jun 27, 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~ 第2回

Inhibitors of integrin αvβ6 have the potential to treat fibrotic disease through blockage of the TGFβ pathway.

The Predict-First Paradigm: How Digital Chemistry is Changing Drug Discovery Webinar Life Science
  • Jun 21, 2023
The Predict-First Paradigm: How Digital Chemistry is Changing Drug Discovery

In this webinar, we walk through the digital chemistry strategy used by Schrödinger’s Therapeutics Group, which has led to several successful clinical-stage drug candidates.

Computational drug design and chemo-informatics: a hands-on course at the University of Antwerp 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.

Case Studies

Documentation

  • Documentation
Online Help and Documentation

An online resource of information and instruction on how to use Schrödinger software including user manuals, panel descriptions, installation guides, reference sheets, tutorials, and more.

Documentation Documentation Life Science
Documentation

Comprehensive reference documentation covering panels and workflows.

Training Videos

Getting Going with Maestro BioLuminate Video Life Science
Getting Going with Maestro BioLuminate

A free video series introducing the basics of using Maestro Bioluminate.

Getting Going with Maestro Video Life Science
Getting Going with Maestro

A free video series introducing the basics of using Maestro.

A Sneak Peek into Renumbering Residues and the Project Table in BioLuminate Video Life Science
A Sneak Peek into Renumbering Residues and the Project Table in BioLuminate

The sixth video in the Getting Going with Maestro BioLuminate Video Series: renaming chains and residues, the Project Table.

Publications

  • Publication
  • Feb 20, 2025
Predicting Resistance to Small Molecule Kinase Inhibitors
Nagarajan, et al. Journal of Chemical Information and Modeling, 2025, Preprint

Quick Reference Sheets

Tutorials

  • Tutorial
BACE1 Inhibitor Design Using Free Energy Perturbation

Prepare, run, and analyze a free energy perturbation (FEP) simulation for a series of BACE1 inhibitors using FEP+.

  • 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
Introduction to MD Simulations with Desmond

Prepare, run, and perform simple analysis on an all-atom MD simulation with Desmond.

Webinars

Computational strategies for discovering and optimizing RNA- and DNA-targeting molecules Webinar Life Science
  • Apr 23, 2025
Computational strategies for discovering and optimizing RNA- and DNA-targeting molecules

In this webinar, we will showcase how Schrödinger’s advanced computational solutions are enabling accurate and efficient targeting of RNA and DNA systems by small molecules.

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16回 Webinar Life Science
  • Apr 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16回

Accelerating protein degrader discovery: Computational strategies for degrader design and optimization

Accelerating pharmaceutical formulations using machine learning approaches Webinar Life Science Materials Science
  • Apr 8, 2025
Accelerating pharmaceutical formulations using machine learning approaches

In this webinar, we will demonstrate how Schrödinger’s integrated ML- and physics-based approaches are transforming pharmaceutical formulation design.

White Papers

20 Years of Glide: A Legacy of Docking Innovation and the Next Frontier with Glide WS 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.

QuickShape screening in the age of ultra-large libraries  White Paper Life Science
Jaguar for Life Science White Paper Life Science
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Latest insights from Extrapolations blog

With FEP+, “The Experiment is the Limit.”
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 (FEP)
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.

Can AlphaFold Models be Used for Structure-Based Drug Design? A Perspective Two Years In 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.