Computer Aided Drug Design


Accelerating Drug Discovery Process: Target → Hit → Lead → Drug Candidate

The Computer-Aided Drug Design (CADD) platform provides services for the rapid assessment of chemical entities to guide and speed up the early-stage drug discovery process. Our iterative process is designed to accelerate evaluation and optimization of chemical entities in silico ahead of synthesis and assay. The most promising compounds emerging from each round of experimental project chemistry are then further optimized through additional cycles of computation analysis.

Virtual Screening

Analyzing large collections of compounds to identify those structures which are most likely to bind to a drug target, typically a protein receptor or enzyme.

Structure-based Drug Design

Structure-based drug design is the design and optimization of a chemical structure, based on available protein target information, with the goal of identifying a compound suitable for clinical testing – a drug candidate.

Ligand-based Drug Design

Providing crucial insights into the nature of drug-target interactions and predictive models suitable for lead compound optimization in the absence of 3D structures of potential drug targets.