
Trusted Science. Delivered the Way You Need.
Protein & Data Preparation
Preparing protein models and large data is an important but often tedious process. We automated the process of protein, ligand, and data preparation so you have more time to pursue science.

Protein Preparation
Protein Binding Sites (SiteHopper)
Prepare and compare your protein binding site against known- and putative-binding sites for off-target interactions (SiteHopper)
Modeling Toolkits
Modeling toolkits help you create new methods or extend existing functionality for your scientific applications
Ligand and Data Preparation
Rapid and Accurate Conformer Generation (OMEGA)
Estimate pKa Value and Protonation (pKa Prospector)
Tautomer / Protomer Enumeration & Charge Assignment (QUAPAC)
Property Calculation and Filter (FILTER)
Delivered the Way You Need.
RESOURCES
Glimpse the Future through News, Events, Webinars and more
News
Applications for the Penny J. Gilmer travel grant for CUP XXII are now open
Applications for the Penny J. Gilmer travel grant …
On-Demand Webinar
Webinar: What’s New in 2022.2 Applications/Toolkits Release
Join us for the miniWebinar "What’s New in 2022.2 …
Event
CUP XXII - Santa Fe | March 14-16, 2023
CUP XXII was held March 14-16, 2023 at La Fonda …