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Industry-leading platform to discover and optimize better molecules, faster 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.

Advancing machine learning force fields for materials science applications Webinar Materials Science
  • Aug 6, 2025
Advancing machine learning force fields for materials science applications

In this webinar, we will introduce Schrödinger’s state-of-the-art MLFF architecture, called Message Passing Network with Iterative Charge Equilibration (MPNICE), which incorporates explicit electrostatics for accurate charge representations.

Display Innovation China 2025 Event Materials Science
  • Aug 7th-9th, 2025
Display Innovation China 2025

Schrödinger is excited to be participating in the Display Innovation China (DIC) conference taking place on August 7th – 9th in Shanghai, China.

ACS Fall 2025 Event Materials Science
  • Aug 17th-21st, 2025
ACS Fall 2025

Schrödinger is excited to be participating in the ACS Fall 2025 conference taking place on August 17th – 21st in Washington, D.C.

IMID 2025 Event Materials Science
  • Aug 19th-22nd, 2025
IMID 2025

Schrödinger is excited to be participating in the 25th International Meeting on Information Display conference taking place on August 19th – 22nd in Busan, Korea.

5th Summer School on Cheminformatics 2025 Event Life Science Materials Science
  • Aug 25th-29th, 2025
5th Summer School on Cheminformatics 2025

Schrödinger is excited to be participating in the 5th Summer School on Cheminformatics 2025 conference taking place on August 25th – 29th in Hamburg, Germany.

EFMC-ASMC 2025 Event Life Science Materials Science
  • Aug 31st – Sep 4th, 2025
EFMC-ASMC 2025

Schrödinger is excited to be participating in the EFMC-ASMC 2025 conference taking place on August 31st – September 4th in Porto, Portugal.

DDIF 2025 Event Life Science
  • Sep 10th-11th, 2025
DDIF 2025

Schrödinger is excited to be participating in the Drug Discovery Innovation Forum conference taking place on September 10th – 11th in Barcelona, Spain.

XXIX National Meeting on Medicinal Chemistry Event
  • Sep 14th-17th, 2025
XXIX National Meeting on Medicinal Chemistry

Schrödinger is excited to be participating in the XXIX National Meeting on Medicinal Chemistry conference taking place on September 14th – 17th in Parma, Italy.

US User Group Meeting 2025 Event Life Science
  • Sep 15th-17th, 2025
US User Group Meeting 2025

Schrödinger is excited to host the US User Group Meeting (UGM) at the Newport Harbor Island Resort in Newport, Rhode Island, from September 15-17, 2025.

Surface Chemistry Workshop 2025 Event Materials Science
  • Sep 18, 2025
Surface Chemistry Workshop 2025

Schrödinger invites you to a one-day in-person workshop in Mannheim, Germany to gain hands-on experience with Schrödinger software for modelling surfaces for applications such as atomic layer deposition, catalysis, battery design, and polymer property prediction.

Case Studies

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

Industry-leading platform to discover and optimize better molecules, faster 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.

Advancing machine learning force fields for materials science applications Webinar Materials Science
  • Aug 6, 2025
Advancing machine learning force fields for materials science applications

In this webinar, we will introduce Schrödinger’s state-of-the-art MLFF architecture, called Message Passing Network with Iterative Charge Equilibration (MPNICE), which incorporates explicit electrostatics for accurate charge representations.

Display Innovation China 2025 Event Materials Science
  • Aug 7th-9th, 2025
Display Innovation China 2025

Schrödinger is excited to be participating in the Display Innovation China (DIC) conference taking place on August 7th – 9th in Shanghai, China.

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
  • Jul 8, 2025
Enabling in-silico Hit Discovery Workflows Targeting RNA with Small Molecules
Chopra, et al. J Chem Inf Model, 2025, 1, 40626899
  • 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
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

Industry-leading platform to discover and optimize better molecules, faster 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.

Expand the impact of structural biology on drug design Webinar Life Science
Wee1 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

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.