Research Capabilities

Virtual Screening

Virtual screening reduces large chemical libraries to an optimized, focused set of candidates for biological testing.

Scientific illustration for Virtual screening

Core Capabilities

Cheminformatics Library Preparation

Virtual screening narrows large chemical libraries to an optimal focused group of candidates for biological testing.

Screening Protocol

Standardization of 2D/3D structures, filtering and descriptor calculation.

Prioritization

A task-specific combination of docking, pharmacophore models, ML approaches and structural filters.

Experimental Handoff

Selection based on diversity, availability and predicted properties.

Let’s Collaborate

We welcome collaboration on interdisciplinary biomedical research.

We are open to collaboration in joint research and applied projects, spanning computational modeling, analytical studies, and hypothesis testing to the publication of findings, joint grant applications, and product development.

Discuss a Collaboration