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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 data preparation.

Protein Preparation

Automated Protein Preparation and Structure Assessment

Streamline your process to generate high quality protein models (SPRUCE) and quickly assess quality of protein structures based on Iridium criteria

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)

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