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

Glide WS Model Generation

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.

Life Science Tutorial

Glide WS Evaluation of HSP90 Ligands

Build and use Glide WS models to evaluate Hsp90 ligands.

Life Science Tutorial

Drug Development with Macrocycles

Sampling, docking, and lead optimization of macrocycles.

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.

Materials Science

Gaining molecular insights towards inhibition of foodborne fungi Aspergillus fumigatus by a food colourant violacein via computational approach

Materials Science

Steviol rebaudiosides bind to four different sites of the human sweet taste receptor (T1R2/T1R3) complex explaining confusing experiments

Life Science

FEP augmentation as a means to solve data paucity problems for machine learning in chemical biology

Life Science

Lead optimization of small molecule ENL YEATS inhibitors to enable in vivo studies: Discovery of TDI-11055

Materials Science

Stabilization of myoglobin from different species (produced by cellular agriculture) using food-grade natural and synthetic antioxidants

Life Science

Design and Optimization of Novel Competitive, Non-peptidic, SARS-CoV-2 Mpro Inhibitors

Materials Science

Antimicrobial FiteBac® K21 promotes antimicrobial Potency andwound healing

Materials Science

Spectroscopic studies, antimicrobial activity, and computational investigations of hydrazone ligands endowed metal chelates

Materials Science

In Vitro and In Silico Studies of Antimicrobial, and Antioxidant Activities of Chemically Characterized Essential Oil of Artemisia flahaultii L. (Asteraceae)

Materials Science

Structural basis of odorant recognition by a human odorant receptor

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.