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  • 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.

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。

Antibody Humanization Guided by Computational Modeling Webinar Life Science
Bringing drugs to clinics faster with NVIDIA computing Webinar Life Science
  • Jun 30, 2022
生物制药设计 | BioLuminate

本培训我们将演示BioLuminate生物制药设计工作流程,其中包括

  • Documentation
Learning Path: Oligonucleotide Modeling

A structured overview of tools and workflows for nucleic acids in drug discovery.

  • Documentation
PIPER

A state-of-the-art protein-protein docking program.

  • Tutorial
Introduction to T Cell Receptor Modeling with BioLuminate

Structure preparation, visualization and analysis of key interactions in the TCR-peptide-MHC complex.

Computational workflows for bifunctional degrader design Webinar Life Science
  • Publication
  • Sep 1, 2020
Performance and Its Limits in Rigid Body Protein-Protein Docking
Desta, et al. Structure, 2020, 28(9), 1071-1081
  • Publication
  • Feb 25, 2017
Investigating Protein-Peptide Interactions Using the Schr’dinger Computational Suite
Bhachoo, et al. Methods Mol Biol., 2017, 1561, 235-254
  • Publication
  • Sep 30, 2012
Consensus Induced Fit Docking (cIFD): Methodology, validation, and application to the discovery of novel Crm1 inhibitors
Kalid, et al. J. Comput. Aided Mol. Des., 2012, 26, 1217-1228

Case Studies

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

BioJapan 出展 @パシフィコ横浜 Event Life Science
  • Oct 10, 2025
BioJapan 出展 @パシフィコ横浜

展示ブースでは、創薬課題を短期間・定額・高精度で解決する受託解析サービスをご紹介します。ぜひお立ち寄りください。 小間番号:C-19

248th ECS Meeting Event Materials Science
  • Oct 12th-16th, 2025
248th ECS Meeting

Schrödinger is excited to be participating in the 248th ECS Meeting taking place on October 12th – 16th in Chicago, Illinois.

Lunch & Learn: Informatics for Medicinal Chemists Event Life Science
  • Oct 13, 2025
Lunch & Learn: Informatics for Medicinal Chemists

Schrödinger therefore invites you to a specialized and free-of-charge “Lunch & Learn” workshop on Monday, October 13th at the Clayton Hotel Cambridge, designed to tackle these exact workflows and collaboration challenges.

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.

  • 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
  • Aug 27, 2025
Knowledge and structure-based drug design of 15-PGDH inhibitors
Dodda LS, et al. J. Med. Chem., 2025, 68(17), 18436–18462

Quick 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

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 Webinar Life Science
Structure-based discovery of highly potent dihydroorotate dehydrogenase inhibitors for once-monthly malaria chemoprevention 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.

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 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

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

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.