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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.
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.
Discovery Molecular Modeling and Simulation Analytics

Computational methods to model and study the behavior of molecules, from small chemical systems to large biological molecules.
CE Program Development

Development of continuing education learning activities characterized by the issuance of a certificate or continuing education units (CEU) for the purpose of documenting attendance/completion at a designated seminar or course.