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Products

Augment your discovery work with a collaborative digital design ecosystem powered by industry-leading computational workflows

MaestroMaestro for Life Science and Materials Science
BackgroundLiveDesign -complete digital molecular design lab
MaestroMaestro for Life Science and Materials Science

Maestro

Maestro is a powerful molecular modeling environment for accessing cutting-edge physics-based molecular simulation workflows, state-of-the-art machine learning, and advanced structure visualization.

BackgroundLiveDesign -complete digital molecular design lab

LiveDesign

LiveDesign is a cloud-native, collaborative enterprise informatics platform with integrated 3D design, advanced cheminformatics, and data analysis workflows for the entire discovery team.

All Products

Active Learning Applications

Accelerate discovery with machine learning

AutoTS

Automatic workflow for locating transition states for elementary reactions

BioLuminate

Comprehensive modeling platform for biologics discovery

ConfGen

Accurate and efficient conformational search solution

De Novo Design Workflow

Fully-integrated, cloud-based design system for ultra-large scale chemical space exploration and refinement

DeepAutoQSAR

Automated, scalable solution for the training and application of predictive machine learning models

Desmond

High-performance molecular dynamics (MD) engine providing high scalability, throughput, and scientific accuracy

Epik

Rapid pKa and protonation state prediction tool

FEP+

High-performance free energy calculations for drug discovery

Force Field Builder

Efficient tool for optimizing custom torsion parameters in OPLS4

GA Optoelectronics

Design solution for novel molecular materials in optoelectronic applications based on a generative algorithm

Glide

Industry-leading ligand-receptor docking solution

IFD-MD

Accurate ligand binding mode prediction for novel chemical matter, for on-targets and off-targets

Jaguar

Quantum mechanics solution for rapid and accurate prediction of molecular structures and properties

Jaguar Spectroscopy

Conformationally-dependent spectroscopic characterization based on quantum mechanics calculations

KNIME Extensions

Modular, highly configurable framework for easy workflow automation and data analysis

Ligand Designer

Intuitive, interactive 3D ligand design for hit-to-lead and lead optimization

LigPrep

Versatile ligand preparation tool for structure-based workflows

LiveDesign

Your complete digital materials design lab

Macro-pKa

Accurate, physics-based modeling of the aqueous ionization and speciation behavior of small molecules

MacroModel

Versatile, full-featured molecular modeling program

Maestro

Complete modeling environment for your molecular discovery

Membrane Permeability

Physics-based solution for rapid and accurate prediction of passive membrane permeability

MS CG

Efficient coarse-grained (CG) molecular dynamics (MD) simulations for large systems over long time scales

MS Dielectric

Automatic workflow to calculate dielectric properties and refractive index

MS Informatics

Efficient machine learning model builder for materials science applications

MS Maestro

Complete modeling environment for your materials discovery

MS Mobility

Atomistic simulation and analysis of charge mobility in solid-state films of organic semiconductors

MS Morph

Efficient modeling tool for organic crystal habit prediction

MS Penetrant Loading

Molecular dynamics (MD) modeling for predicting water loading and small molecule gas adsorption capacity of a condensed system

MS Reactivity

Automatic workflow for accurate prediction of reactivity and catalysis

MS Transport

Efficient molecular dynamics (MD) simulation tool for predicting liquid viscosity and diffusions of atoms and molecules

OPLS4

A modern, comprehensive force field for accurate molecular simulations

Phase

An easy-to-use pharmacophore modeling solution for ligand- and structure-based drug design

PIPER

A state-of-the-art protein-protein docking program

Prepared Commercial Compound Library

Fully prepared databases of purchasable compounds

Prime

A powerful and innovative solution for accurate protein structure prediction

PrimeX

Comprehensive package for accurate protein crystal structure refinement

PyMOL

PyMOL is a user-sponsored molecular visualization system on an open-source foundation, maintained and distributed by Schrödinger

QikProp

Rapid ADME predictions of drug candidates

QSite

High-performance QM/MM program

Quantum ESPRESSO GUI

Integrated graphical user interface for nanoscale quantum mechanical simulations

Research Enablement Services

Services for target enablement, hit discovery and crystal polymorph prediction

Schrödinger 2D Sketcher

Services & Collaborations

Shape Screening

Efficient ligand-based virtual screening of millions to billions of molecules

SiteMap

Fast, accurate, and intuitive binding site identification

Virtual Cluster

Secure, scalable environment for running simulations on the cloud

Virtual Screening Web Service

Virtual, novel hits from a billion-compound library delivered in one week

WaterMap

State-of-the-art, structure-based method for assessing the energetics of water solvating ligand binding sites for ligand optimization

WScore

Advanced docking program that leverages explicit water information in the binding site to provide more accurate scoring of ligands

Life science resources

Learn how to integrate Schrödinger technology into your research with molecular modeling training resources, curated by Schrödinger Education experts.

Materials science resources

Level-up your research with molecular modeling training resources, curated by Schrödinger Education experts.