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