- Drug Design
- Virtual Screening
- Structure Optimization
- Library Design
- ADME/T modeling
- Lead Optimization
- In Vitro Assay
- Assay Development
- Library Screening
- Hit to Lead
- ADME Profiling
- Natural product
- Zebrafish_Platform
- Lead Discovery
45-16 Ramsey Road
Shirley, NY 11967
USA
HOME > Drug Discovery > Drug Design
The latest and most advanced cluster and computational software as well as the expertise guarantee the excellent performance of all aspects of molecular modeling. We have applied this expertise to successfully support our client's drug discovery programs or standalone computational chemistry projects with assignments from virtual screening, pharmacophore modeling, lead optimization to the ADMET analysis. By utilizing the powerful HP cluster with 56 blades and 672 cores, the large virtual screening experiments with the greatest accuracy and ease can be performed.
In Silico - Resources
Hardware: Super high-performance computer cluster with total 60 blades and 720 cores to evaluate >1,000,000 compounds in 10 days
Databases: virtual compound database with more than 2 million unique compounds, including ZINC, MDDR, ACD, NCI, etc.
In-House Databases: Drug Information system
Virtual Screening
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Molecular docking
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Molecular dynamics simulations
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Free energy calculations
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Pharmacophore modeling
Structure Optimization
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QSAR analysis
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Similarity Search
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Scaffold hopping
Library Design
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Diverse library design
● Focused library design
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Combinatorial library design