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To better assist you with your request, please choose a research area provided by Cheminfosolutions Ltd. In case you cannot find an exact match, simply select any service, and our concierge team will swiftly address it once your request has been submitted.

Discovery Computational Chemistry

Model the interaction of a drug candidate with protein targets such as kinases, GPCRs, receptors, ion channels or enzymes.
Virtual Screening

Use software algorithms to virtually screen millions of potential compounds and peptides for binding.
Compound Docking

Identify potential compound hits based on the 3D structure of a target protein.
Library Design & Evaluation

Use structural knowledge to design target-focused compound libraries for screening.
Pharmacophore Modeling

Use computer models to identify hits based on structural similarity to known active compounds.
QSAR Analysis

Develop quantitative structure–activity relationship models for drug design.
Activity Prediction

Identify possible chemical hits based on the known three-dimensional structure of a protein.
Molecular Dynamics Software

Run simulations that determine time-dependent behaviors of molecular systems.
Chemoinformatics Consulting

The use of computer and informational techniques applied to a range of problems in the field of chemistry.