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MagHelix™ Drug Design

Creative Biostructure is the leading provider for novel drug design and early phase compound development programs. With the latest computational clusters and software, our seasoned scientists guarantee excellent services in all aspects of molecular modeling. Experts from Creative Biostructure can perform MagHelix™ virtual screening, pharmacophore modeling, lead optimization and the absorption, distribution, metabolism, excretion and toxicity (ADMET) analysis using our unparalleled hard and soft skills and technologies. Nowadays, with powerful High-Performance Computing (HPC) clusters, massive virtual screening has become ever more feasible and affordable. Therefore, we are confident to accelerate your drug discovery process and computational chemistry projects.

MagHelix? Drug Design

Some of our in silico resources are as follows:

Hardware: Super high-performance computer clusters with total 58 blades and 716 cores capable of screening more than 1 million compounds in 10 days;

Databases: Virtual compound databases with more than 2 million unique compounds, including ZINC, MDDR, ACD, NCI, etc.;

In-House Databases: Drug Information system.

Creative Biostructure provides the following MagHelix™ drug design services to meet your requirements:

Virtual Screening

  • Molecular docking
  • Molecular dynamics simulations
  • Free energy calculations
  • Pharmacophore modeling

Structure Optimization

  • Quantitative Structure-Activity Relationship (QSAR) analysis
  • Similarity search
  • Scaffold hopping

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