Whether you are a company or academic research group that is interested in using computational methods - related to chemistry, biochemistry, and data analytics - to explore new research areas, an organization that needs someone to fill in for someone on extended leave, or something in between, exeResearch can provide the assistance you need.

exeResearch specializes in constructing a narrative from your data to help explain what has happened and provide insight to possible future events using predictive modeling, text mining, and analytics methods applied to drug discovery, chemistry, biological systems, materials, and other areas of interest. We provide scientific research and assistance in methods and protocol development in the areas below. If you do not see a methodology or protocol you are interested in, please feel free to contact us and we can discuss your research needs.

Scientific Services

• Methods development
  
• Protocol development
  
• QSPR
  
• Predictive modeling
  
• Molecular dynamics
  
• Quantum chemistry
  
• Data/text mining
  
• Data science
  
• Data visualization
• Documentation
  
• Molecular visualization
  
• Manuscript editing
  

Ligand-based Design

• QSAR
• Quantitative 3D-pharmacophore models
• Cheminformatics
• Virtual screening
• Fingerprinting
• Pharmacophore queries
• Similarity searches
• FDA compound screening via Leadscope

Protein Modeling

• Bioinformatics
  
• Homology modeling
  
• Comparative modeling
  
• in silico site directed mutagenesis
  
• Protein engineering
  

Structure-based Design

• Docking
  
• de novo ligand design
  

Custom programming
Scientific Vector Language (SVL; Chemical Computing Group, Inc)
R applications and scripts (The R-project)

Examples of SVL and R scripts are provided here.

If you do not see a methodology or protocol you are interested in, please feel free to contact us and we can discuss your research needs.