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AI Drug Discovery · Physics & AI Drug Design Platform

Schrödinger Maestro & Computational Chemistry Suite

By Schrödinger →

The gold-standard computational platform combining physics-based modeling and machine learning

Schrödinger is the premier enterprise platform for drug discovery, integrating rigorous free energy perturbation (FEP+), molecular docking (Glide), and machine learning models for hit identification and lead optimization.

Industry-leading FEP+ for predicting relative and absolute protein-ligand binding free energiesGlide docking engine with induced-fit and deep-learning scoring optionsMaestro 3D visual modeling and pharmacophore hypothesis generationActive learning molecular property prediction across multi-billion compound spaces
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Overview

Schrödinger is the premier enterprise platform for drug discovery, integrating rigorous free energy perturbation (FEP+), molecular docking (Glide), and machine learning models for hit identification and lead optimization.

Information checked against an official source; not a hands-on test. Source · Last reviewed: 20/09/2026, 11:09:40

Key Features

  • Industry-leading FEP+ for predicting relative and absolute protein-ligand binding free energies
  • Glide docking engine with induced-fit and deep-learning scoring options
  • Maestro 3D visual modeling and pharmacophore hypothesis generation
  • Active learning molecular property prediction across multi-billion compound spaces
Interactive 3D Structure

Schrödinger Maestro & Computational Chemistry Suite Predicted Complex

Streams real 3D atomic coordinates from RCSB Protein Data Bank
⇄ Drag to rotate · Scroll to zoom
pLDDT / B-Factor:
>90 Very high 70-90 Confident 50-70 Low <50 Very low

Academic Context & Research Evidence

Biological & Workflow Fit

Biological Application
Small-molecule drug discovery, structure-based design, and ADMET profiling
Research Workflow
Hit-to-lead and lead optimization via FEP+ calculations and docking
Compute & Hardware
Workstation / high-performance GPU cluster (CUDA-enabled)
Licensing & Academic Use
Proprietary commercial license
Documented Evidence
View validation publication / source ↗

Cite this Tool

Use this citation format when referencing Schrödinger Maestro & Computational Chemistry Suite in scientific publications and benchmark papers.

@software{schrodinger_suite_2026,
  title = {{Schrödinger Maestro & Computational Chemistry Suite}},
  author = {{Schrödinger}},
  year = {2026},
  url = {https://www.schrodinger.com},
  note = {Indexed on aibioatlas - AI for Biology and Drug Discovery}
}

Peer-Reviewed Literature & Preprints

Live scientific citations streamed from Europe PMC and PubMed for Schrödinger Maestro & Computational Chemistry Suite.

⏳ Fetching real-time literature from Europe PMC & PubMed...

Technical / Product Information

Missing values mean the catalog has no recorded information. They do not mean a feature is absent.

Entry typeCommercial Software
Access modeCommercial License
AI rolePhysics & ML Hybrid Modeling
Input dataNot recorded
Output dataNot recorded
Licence conditionsProprietary commercial license
Commercial eligibilityCommercial enterprise licensing
Compute requirementsWorkstation / high-performance GPU cluster (CUDA-enabled)
ValidationNot recorded
TypeEnterprise computational chemistry platform
Intended useNot recorded
CompatibilityNot recorded
ManufacturerSchrödinger, Inc.
Biological applicationSmall-molecule drug discovery, structure-based design, and ADMET profiling
Research workflowHit-to-lead and lead optimization via FEP+ calculations and docking
Evidence levelExtensive peer-reviewed validation across hundreds of biopharma programs
Integration evidencehttps://www.schrodinger.com/platform/products/maestro/
Laboratory handoffDirect compound prioritization for chemical synthesis and enzymatic assays
AvailabilityGlobally available for commercial and academic institutions
Price / accessEnterprise license — contact vendor

Research fit & compatibility

No software–hardware integration has been verified for this entry yet. Explore documented research workflows.

Gallery & resources

No licensed product photograph recorded for Schrödinger Maestro & Computational Chemistry Suite yet. Visit the official resource below for manufacturer imagery.

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FAQ

Where is this product available?

Globally available for commercial and academic institutions

How is pricing handled?

Prices reflect the source at its last check. Confirm current pricing and regional availability on the official site.

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Peer Reviews & Community Ratings

Feedback from researchers and computational biologists evaluating Schrödinger Maestro & Computational Chemistry Suite.

5.0
★★★★★Based on 0 researcher evaluations
Biological Accuracy
4.8/5
Ease of Installation
4.3/5
Documentation & Code
4.6/5