Phase
Easy-to-use pharmacophore modeling solution for ligand- and structure-based drug design
Identify novel hits with pharmacophore screening
Phase is an intuitive pharmacophore modeling tool that allows assessment of compounds based on the steric and electronic features of molecules known to have biological activity. Phase employs a unique common pharmacophore perception algorithm designed for use in both lead optimization and virtual screening, and helps create understanding of an unknown binding site in the absence of a protein structure.
Key Capabilities
Easily setup, execute, and analyze pharmacophore screening with an intuitive user interface
Screen and determine the spatial arrangement of chemical features that interact with a receptor and use the binding information to better identify novel compounds and chemotypes that are likely to bind to the target receptor
Create hypotheses from protein-ligand complexes, apo proteins, or from ligands and selectively merge hypotheses features to create hybrid models
Exercise precise control over pharmacophore creation, generation and screening
Rapidly and thoroughly sample conformational, ionization, and tautomeric states, with optional minimization using the best-in-class OPLS4 force field to create a phase database
Benefit from fully prepared databases of purchasable compounds from Enamine, MilliporeSigma, MolPort and Mcule for out-of-the-box screening
Save compute time and effort using prepared commercial libraries for Phase
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.
Case Study
Discovery of a novel, potent ACC inhibitor driven by computationally-guided design and assessment of water energetics in the binding site
See how Nimbus identified potent, selective inhibitors using a virtual screening workflow guided by hydration energetics.
read the case study
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Shape Screening
Efficient ligand-based virtual screening of millions to billions of molecules
Publications
Browse the list of peer-reviewed publications using Schrödinger technology in related application areas.
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.
Other Resources