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In Silico Drug Discovery Services

We leverage cutting-edge computational tools to accelerate and optimize the drug discovery process, providing efficient and cost-effective solutions

A. De Novo Drug Design:

We design new drug candidates or scaffolds from scratch using computational methods tailored to specific drug targets.

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B. In Silico Screening

Ligand-Based Virtual Screening (LBVS): We provide screening for large compound libraries based on the structural and chemical properties of known active molecules.
Structure-Based Virtual Screening (SBVS): We utilize the 3D structure of biological targets to screen compound libraries and identify potential drug candidates.

C. Molecular Docking

Binding Affinity Prediction: We predict the binding strength of a drug candidate with its target protein through drug-target interaction simulations.
Pose Prediction: We help you determine the most favorable orientation and conformation of a drug when bound to a protein target.

D. In Silico Interaction Studies

We help you identify and predict potential interactions between candidate drugs (or peptides) and their protein targets to assess binding and therapeutic potential.

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