Glide

Industry-leading ligand-receptor docking solution

Expand the impact of structural biology on drug design

Amplify your ligand discovery with an accurate, versatile docking program

Glide is the leading industrial solution for reliable ligand-receptor docking. It augments and accelerates structure-based drug design across a range of applications, including virtual screening, binding mode prediction and interactive 3D molecular design.

Advantages of Glide for ligand-receptor docking

Easy-to-use graphical interface
Easy-to-use graphical interface

Easily create and validate docking models with a simple, guided graphical user interface

Explore binding sites to guide ligand design
High docking accuracy across diverse receptor types

Achieve high enrichment across a diverse range of receptor types, including small molecules, peptides, and macrocycles

Customizable constraints
Customizable constraints

Benefit from a broad range of constraints to easily bias docking calculations to meet experimentally-observed requirements and desired chemical space

Optionally leverages explicit water energetics

Achieve accurate pose predictions and eliminate false positive virtual hits with Glide WS

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Includes multiple scoring workflows to enhance your virtual screens

Glide SP is a widely used and precise docking workflow designed for high-throughput virtual screens. Glide SP employs hierarchical filter technology that is ideal for large-scale screening to yield fast and accurate hits.

Glide WS is an advanced docking tool that leverages explicit water dynamics from WaterMap. Built on the foundation of Glide SP and WScore, Glide WS provides significantly improved sampling and scoring of small molecules in the binding pocket.

Glide is a key element of Schrödinger’s modern virtual screening workflow

Powerful use cases across drug discovery

Interactive 3D design

Interactively design and dock in 3D using goal-directed ligand design workflows in Ligand Designer and LiveDesign

Pose prediction

Accurately predict ligand poses to understand interaction with receptor and provide initial pose for rescoring with AB FEP+

Virtual screening

Perform virtual screens with automated workflows that are customizable to fit project needs and accelerate screening of ultra-large libraries (>1B compounds) using Glide enhanced by Active Learning

Covalent docking and scoring

Dock a set of ligands that bind covalently to the receptor, using predefined or custom reaction chemistry – CovDock

Rescoring with Glide WS

Incorporate detailed water analysis from WaterMap calculations to evaluate protein-ligand binding interactions and reduce false positives from Glide SP screenings

Save compute time and effort using prepared commercial libraries for Glide

Schrödinger has partnered with leading providers to help you access commercial databases of fragments, lead-like, near drug-like, and drug-like compounds ranging from millions to billions of compounds encompassing a vast chemical space.

MCule
PWuXi-AppTec
Sigma-Aldrich
MolPort
Enamine

Case studies & webinars

Discover how Schrödinger technology is being used to solve real-world research challenges.

Documentation & Tutorials

Get answers to common questions and learn best practices for using Schrödinger’s software.

Life Science Quick Reference Sheet

CovDock

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

Life Science Quick Reference Sheet

Glide WS Model Generation

Life Science Documentation

Learning Path: Virtual Screening

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

Life Science Tutorial

Refining crystallographic protein-ligand structures using GlideXtal and Phenix/OPLS

Re-dock and refine ligand pose in a crystal structure with GlideXtal.

Life Science Tutorial

Structure-Based Virtual Screening using Glide

Prepare receptor grids for docking, dock molecules and examine the docked poses.

Life Science 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.

Life Science Tutorial

Re-scoring Docked Ligands with MM-GBSA

Optimize binding poses and re-score results of a small virtual screen.

Life Science Tutorial

Approximating Protein Flexibility without Molecular Dynamics

Soften potentials in Glide and run induced-fit docking for side chain conformational changes and loop refinement.

Materials Science Tutorial

Modeling Receptor Binding in an Olfactory Protein

Learn how to prepare structures for docking and create a protein mutation by modeling an olfactory receptor.

Life Science Tutorial

Modeling Receptor Binding in an Olfactory Protein

Learn how to prepare structures for docking and create a protein mutation by modeling an olfactory receptor.

Related Products

Learn more about the related computational technologies available to progress your research projects.

Active Learning Applications

Accelerate discovery with machine learning

LiveDesign

Your complete digital molecular design lab

Prepared Commercial Libraries

Fully prepared databases of purchasable compounds

FEP+

High-performance free energy calculations for drug discovery

Publications

Browse the list of peer-reviewed publications using Schrödinger technology in related application areas.

Life Science Webinar

Design of a Highly Selective, Allosteric, Picomolar TYK2 Inhibitor in Clinical Development

In this webinar, we highlight key moments from the discovery of this potentially best-in-class selective, allosteric, picomolar inhibitor of TYK2.

Life Science White Paper

Dramatically improving hit rates with a modern virtual screening workflow

Life Science Case Study

Discovery of a novel, potent ACC inhibitor driven by computationally-guided design and assessment of water energetics in the binding site

Life Science Webinar

The Predict-First Paradigm: How Digital Chemistry is Changing Drug Discovery

In this webinar, we walk through the digital chemistry strategy used by Schrödinger’s Therapeutics Group, which has led to several successful clinical-stage drug candidates.

Life Science Webinar

Expect Success: Modern Virtual Screening Technologies that Actually Deliver High-Quality, Developable Hits

In this webinar, we describe several recent case studies from the Schrödinger Therapeutics Group where this modern large-scale virtual screening workflow resulted in double-digit hit rates across a diverse range of targets.

Life Science Webinar

Chinese: 2022薛定谔秋季中文生命科学网络讲座 | 用最新的基于物理计算方法为基于结构的药物研发开辟新天地

近年来,随着新的高预测性、基于物理理论方法的发展与其加速发现新型临床化合物能力的展现,基于结构的药物发现 (SBDD) 策略的价值得到提升。

Life Science White Paper

CovDock

Life Science White Paper

Macrocycles

Life Science White Paper

The new solution to the induced fit docking problem: How IFD-MD rapidly and reliably predicts accurate ligand binding

Life Science White Paper

Docking and scoring

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.

Tutorials

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.