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Antibody modeling with the Schrödinger Platform Webinar Life Science
  • May 27, 2020
Antibody modeling with the Schrödinger Platform

This webinar presents the tools available in BioLuminate to model antibody structures, covering homology modeling, humanization, antigen-antibody docking, liability prediction, and in silico mutations.

Homology modeling with the Schrödinger Biologics Suite Webinar Life Science
  • May 4, 2019
Homology modeling with the Schrödinger Biologics Suite

In this webinar, we present a short introduction to homology modeling followed by a a demonstration of how to use Schrödinger tools to build and analyze homology models.

Aggregation scoring and liability prediction using Schrödinger’s Biologics Suite Webinar Life Science
Structure Prediction & Target Enablement Webinar Life Science
Jaguar for Life Science Webinar Life Science
An Overview of Covalent Docking and FEP, using the Example of Cathepsin Binders Inhibitors Webinar Life Science
  • Nov 7, 2018
An Overview of Covalent Docking and FEP, using the Example of Cathepsin Binders Inhibitors

Covalent Ligands in Drug Design: Things Modelers should be thinking about

Creating workflows with KNIME – Beyond the basics Webinar Life Science
  • Nov 5, 2018
Creating workflows with KNIME – Beyond the basics

In this webinar, we introduce some more advanced concepts to help you create more complex workflows.

An Introduction to Automating Workflows with KNIME Webinar Life Science
  • Nov 5, 2016
An Introduction to Automating Workflows with KNIME

In this webinar, we give a brief overview on how to get started with KNIME and use Schrödinger Nodes to create workflows for use within KNIME and Maestro.

Membrane Permeability Webinar Life Science
  • Mar 18, 2016
Case Studies in Molecular Dynamics and Enhanced Sampling Methods

In this webinar, we present applications for small molecules conformational sampling and membrane permeability.

Case Studies

Documentation

  • Documentation
Documentation

Comprehensive reference documentation covering panels and workflows.

  • Documentation
Learning Path: Computational Structure Prediction

A structured overview of tools and workflows for predicting biomacromolecular structures in whole or in part.

  • Documentation
Learning Path: Virtual Screening

A structured overview of how to construct a virtual screening pipeline.

Events

Display Week 2025 Event Life Science
  • May 11th-16th, 2025
Display Week 2025

Schrödinger is excited to be participating in the Display Week 2025 conference taking place on May 11th – 16th in San Jose, California.

Spring Pharmaceutical Synchrotron X-ray Powder Diffraction Workshop Event Materials Science
  • May 12th-13th, 2025
Spring Pharmaceutical Synchrotron X-ray Powder Diffraction Workshop

Schrödinger is excited to be participating in the Spring Pharmaceutical Synchrotron X-Ray Powder Diffraction workshop taking place on May 12th – 13th in Lemont, Illinois.

Computational insights into polymer excipient selection for amorphous solid dispersions Webinar Life Science Materials Science
  • May 14, 2025
Computational insights into polymer excipient selection for amorphous solid dispersions

In this webinar, we will highlight how molecular models can aid our ability to screen through standard polymer excipients for target lists to push into lab testing.

Product 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
  • Apr 18, 2025
Enabling in-silico Hit Discovery Workflows Targeting RNA with Small Molecules
Chopra, et al. Theoretical and Computational Chemistry, 2025, 1, Preprint
  • 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, 2025

Quick Reference Sheets

  • Quick Reference Sheet
Structure Reliability Report

A one-page guide to understanding the outputs of the Structure Reliability Report.

  • Quick Reference Sheet
CovDock

A one-page guide to specifying custom reactions for covalent docking.

  • Quick Reference Sheet
MxMD

Setting up and analyzing mixed-solvent MD simulations in a nutshell.

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

Advancing drug discovery programs with machine learning-enhanced de novo design Webinar Life Science
  • May 21, 2025
Advancing drug discovery programs with machine learning-enhanced de novo design

In this webinar, we will demonstrate how large-scale de novo design workflows in Schrödinger’s AutoDesigner, combined with rigorous free energy-based scoring methods, have been applied to several recent programs to overcome critical design challenges. 

Computational insights into polymer excipient selection for amorphous solid dispersions Webinar Life Science Materials Science
  • May 14, 2025
Computational insights into polymer excipient selection for amorphous solid dispersions

In this webinar, we will highlight how molecular models can aid our ability to screen through standard polymer excipients for target lists to push into lab testing.

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17回 Webinar Life Science

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.