In silico High Throughput Screening System

We provide drug candidate discovery services through our in silico high throughput screening system


  • Target Identification

    Target Identification

  • Library Development and Chemical Synthesis

    Library Development and Chemical Synthesis

    • · Establishing ZINC database (>1 billion)
    • · Establishing a drug-like compound and natural product database
  • High-throughput screening

    High-throughput screening

    • · High-throughput virtual screening
    • · Expanding evolutionary library using A.I.
  • Lead Optimization

    Lead Optimization

    • · Designing drugs using Structure Activity Relationships (SAR)
    • · Analyzing Protein-Chemical Stabilization by Molecular Dynamics (MD)
    • · Designing Structure Based Drug Discovery (SBDD) through binding mode analysis with X-ray crystallography

In silico high throughput screening is a technology that predicts compound efficacy through a virtual mass screening. Through this system, you can secure numerous lead compounds in a short amount of time. The secured lead compounds will become candidates through optimization. They can be proceeded to clinical trials. At Curogen, we provide services for securing drug candidates with the following procedures.

  • 1. Selecting protein targets

    • · We calculate protein structures through Alphafold2 and X-ray crystallography
  • 2. Establishing libraries

    • · We secure various compounds and establish libraries such as ZINC 15 and ZINC 20 for high throughput screenings
    • · We establish a virtual library for Fragment Based Drug Design (FBDD) to predict FBDD results
  • 3. In silico High-throughput screen

    • · Various analyses are made on docking results including docking scores, MD simulations, and pharmacophore analyses
    • · We provide hit extension possibilities
    • · Drug designs are made with FDA proven substances and a natural substance library
  • 4. Lead optimization

    • · We design SAR (Structure Activity Relationship) with data-based activity results
    • · We then pre-calculate hit-to-lead verification in silico before in vitro studies with MD simulations
    • · Time and costs are saved through our in silico toxicity calculation
*Contact info: Curogen HTS Center, +82-31-299-6158,