Biologics Drug Discovery

Lead the way with an integrated, intuitive molecular modeling environment for scientific discovery and digitization

Make developable biomolecules with well-optimized properties

Design better quality biomolecules with predictive methods to optimize molecules from sequence to structure.

Leverage tractable physics-based workflows

Visualize structures and access cutting-edge predictive computational modeling workflows for biologics discovery within a streamlined portal.

Follow easy to use workflows for a broad range of modalities

Access refined workflows across multiple biological modalities including peptides, monoclonal antibodies, antibody-drug conjugates, enzymes, nucleic acids, and more.

Schrödinger’s biologics drug discovery tools provide a unified entry point for molecular insights and access to integrated solutions for:

Structure Prediction
Characterization & Liability Analysis
Protein Engineering
Access cutting-edge molecular modeling solutions within an intuitive interface for advanced molecular insights

Empower your team to think bigger and do more

Access Comprehensive Molecular Modeling

Connect to a wide diversity of industry-leading computational tools through a single intuitive visualization interface.

Supercharge discovery with a comprehensive platform

Visualize Structures

Model and interpret molecular interactions that aid in molecular design.

Automate Antibody Modeling

Model and triage antibody sequences with prediction tools for structure, humanization, and characterization.

Engineer and Design Proteins

Accelerate discovery with advanced protein engineering support for therapeutic proteins, enzymes, peptides (including non-canonical amino acids) to focus and drive experimental efforts towards successful outcomes.

Evaluate Structures Rapidly

Reveal structural insights interactively through linked workspace and analysis panels by simply selecting atoms.

Employ Intuitive Computational Workflows

Benefit from approachable workflows that are easily searchable and anticipate next steps in common workflows.

Access Solutions Virtually

Make the biologics platform accessible to teams in a virtual environment accessed from anywhere.

Empowering users with customer-centric support

Training resources designed for novice and experts users

Vast educational materials and training courses to make you the expert.

Expert technical and scientific support included

Self-help, email, and face-to-face from industry-leading scientific and technical support.

Cross-platform support for Linux, Windows, Mac, and cloud-based solutions

Designed to work within your compute environment.

Get more from Maestro for Biologics


Make Maestro yours with editable preferences, toolbars, and short-cuts.

Stereoscopic View

Experience immersive 3D molecular modeling.

Program & Script

Extend capabilities using the universal scripting language, Python.

Remote Job Management

Manage large-scale job submissions from the Maestro GUI.

Dive deeper with training and education

Introduction to Antibody Modeling
Schrödinger's online course, Introduction to Antibody Modeling, will show how to apply computational modeling tools to antibody development.
Antibody Visualization and Modeling in BioLuminate Workshop Tutorial
This tutorial gives an introduction to analyze an antibody for various characteristics as well as dock an antigen to an antibody.
Chimeric Homology Modeling Using the Multiple Sequence Viewer/Editor
In this tutorial, you will learn how to build a chimeric homology model using the multiple sequence viewer.
Liability Analysis for Biologics
In this tutorial, we will explore tools that can be used in liability detection and mitigation for biologics.
BioLuminate Quick Reference Card
Reference card for the BioLuminate interface.
Design and Optimization of Biologics Driven by Physics-Based Computational Modeling
In this webinar, we will address the important role that computational modeling can play in accelerating the discovery and development of novel biologics.

See applications of Maestro in publications

Potency and Selectivity-Enhancing Mutations of Conotoxins for Nicotinic Acetylcholine Receptors Can Be Predicted Using Accurate Free-Energy Calculations
Large-Scale In Vitro Functional Testing and Novel Variant Scoring via Protein Modeling Provide Insights Into Alkaline Phosphatase Activity in Hypophosphatasia
AggScore: Prediction of aggregation-prone regions in proteins based on the distribution of surface patches
Selection of Nanobodies that Block the Enzymatic and Cytotoxic Activities of the Binary Clostridium Difficile Toxin CDT
A computational approach to enzyme design: predicting ω-aminotransferase catalytic activity using docking and MM-GBSA scoring

Lead the way with an integrated, intuitive molecular modeling environment for scientific discovery and digitization

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