exeResearch LLC
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East Lansing, Michigan, US
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.
Predictive models based on the experimentally measured values and calculated physicochemical properties of your compounds. Depending on the number of compounds and the amount of detail requested these QSAR studies take between a two and four weeks.
The base cost is US$60 per hour or a negotiated project fee. Additional fees for computer time and data storage are possible and will be defined in the final quote.
Deliverables: The predictive models, in-depth report explaining the models, domain applicability, and evaluation of compounds to be experimentally tested.
FDA compound screening
Scientific Vector Language (SVL) for the Molecular Operating Environment (MOE) provided by Chemical Computing Group, Inc ( http://www.chemcomp.com). I have 17 years of experience using MOE and writing SVL functions and applications and have worked with CCG as an Applications Scientist.
R packages and data analysis scripts. I have 9 years of experience using R, writing data analysis scripts, and creating R packages.
Project duration depends on complexity of the proposed project. Hourly and per project rates are available.
Deliverables: The requested functions or package along with testing datasets.
de novo ligand design
in silico site directed mutagenesis
Comparative modeling
Homology modeling
Docking ligand analysis
quantum chemistry
Quantitative structure–property relationships (QSPR)
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