- Tutorial
Ligand-based Screening for Ultra-Large Libraries with Quick Shape and the Hit Analyzer
Perform a Quick Shape screening on a library of 20000 compounds and analyze the results.
Case Study
Life Science
Webinar
Life Science
- Documentation
Phase
An intuitive pharmacophore modeling tool that allows assessment of compounds based on the steric and electronic features of molecules known to have biological activity.
Webinar
Life Science
- Mar 28, 2024
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~
AI/Machine LearningによるアクティブラーニングとAbsolute Binding FEP+を活用した新しいバーチャルスクリーニング手法最新の創薬研究事例を紹介します。
- Tutorial
Rapid Screening of Chemical Libraries with GPU Shape
Perform rapid shape-based screening of a 20,000 compound chemical library with GPU Shape.
- Tutorial
Structure-Based Virtual Screening Using Phase
Create and analyze pharmacophore models generated from a protein-ligand complex.
- Tutorial
Ligand-Based Virtual Screening Using Phase
Create and analyze pharmacophore hypotheses from congeneric and diverse ligand sets.
- Publication
- Jul 8, 2021
ePharmaLib: A Versatile Library of e-Pharmacophores to Address Small-Molecule (Poly-)Pharmacology
Aur’lien F. A. Moumbock, et al. JCIM, 2022, 61(7), 3659-3666- Publication
- Oct 17, 2018
A Comprehensive Ligand Based Mapping of the ‘2 Receptor Binding Pocket
Rhoades, et al. Med Chem., 2014, 10(1), 98 – 121- Publication
- Feb 22, 2017
Computational Tool for Fast In silico Evaluation of hERG K+ Channel Affinity
Chemi, et al. Front. Chem., 2017, 5 (7), 1-9- Publication
- Feb 15, 2017
Identification of Novel Fluorescent Probes Preventing PrPSc Replication in Prion Diseases
Zaccagnini, et al. European Journal of Medicinal Chemistry, 2017, 127 (15), 859-873Case Studies
Case Study
Life Science
Materials Science
Case Study
Life Science
Case Study
Life Science
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.
Events
Event
Materials Science
- Oct 16, 2025
248th ECS Meeting
Schrödinger is excited to be participating in the 248th ECS Meeting taking place on October 12th – 16th in Chicago, Illinois.
Event
Materials Science
- Oct 15th-17th, 2025
SEPAWA CONGRESS 2025
Schrödinger is excited to be participating in the SEPAWA CONGRESS 2025 conference taking place on October 15th – 17th in Berlin, Germany.
Webinar
Materials Science
- Oct 29, 2025
Advancing battery materials innovation using charge-aware machine learning force fields
In this webinar, we will demonstrate how Schrödinger is utilizing an integrated computational approach combining physics-based molecular modeling with machine learning force fields (MLFFs) to address key challenges in battery materials design.
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
- Oct 13, 2025
Accelerated In Silico Discovery of SGR-1505: A Potent MALT1 Allosteric Inhibitor for the Treatment of Mature B-Cell Malignancies
Nie Z, et al. J. Med. Chem., 2025- Publication
- Sep 17, 2025
Accurate hydration free energy calculations for diverse organic molecules with a machine learning force field
Xie, et al. ChemRxiv, 2025, 1, Preprint- Publication
- Sep 12, 2025
Towards better structural models from cryo-electron microscopy data with physics-based methods
Selcuk HB, et al. FEBS Lett, 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
- Oct 31, 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20回
In silico cryptic binding site detection and prioritization
Webinar
Life Science
- Oct 8, 2025
Structure-based discovery of highly potent dihydroorotate dehydrogenase inhibitors for once-monthly malaria chemoprevention
In this webinar, Zhe Nie, medicinal chemist and project leader at Schrödinger, and Margaret Phillips, professor at UT Southwestern Medical School, Dallas, share in conversation how their teams worked collaboratively towards the discovery of novel DHODH inhibitors.
Webinar
Life Science
- Sep 24, 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19回
Computational strategies for discovering and optimizing RNA- and DNA-targeting molecules
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