Key Points
- License the FORECASTER or VIRTUAL CHEMIST platforms for a set package price
- One or multi-year license with patch maintenance and support included
- Proprietary accessory tools are included with the appropriate modules..
- Project assistance plan (complementary with first purchase)
- Training workshops (complementary with first license purchase)
- Tutorial videos and manuals available for reference
Visit our Resources page for FAQs, information about software requirements, online tutuorials and manuals, and more.
References
When reporting results with our programs, please cite the following publications:
Labarre, A., Stille, J., Burai-Patrascu, M., Martins, A., Pottel, J., Moitessier, N. Docking Ligands into Flexible and Solvated Macromolecules. 8. Forming New Bonds – Challenges and Opportunities. Journal of Chemical Information and Modeling (2022), 62, 1061-1077 Link
Moitessier N., Pottel J., Therrien E., Englebienne P., Liu Z., Tomberg A., Corbeil C.R. Medicinal Chemistry Projects Requiring Imaginative Structure-Based Drug Design Methods Acc. Chem. Res. (2016), 49 (9), 1646-1657 Link
Corbeil C.R., Englebienne P., Moitessier N. Docking ligands into flexible and solvated macromolecules. 1. Development and validation of FITTED 1.0 J. Chem. Inf. Model. (2007), 47, 2, 435-449 Link
IMPACTS
Campagna-Slater V., Pottel J., Therrien E., Cantin L.-D., Moitessier N. Development of a computational tool to rival experts in the prediction of sites of metabolism of xenobiotics by P450s J. Chem. Inf. Model. (2012), 52, 9, 2471-2483 Link
FORECASTER and other tools (SELECT, REDUCE, …)
Therrien E., Englebienne P., Arrowsmith A.G., Mendoza-Sanchez R., Corbeil C.R., Weill N., Campagna-Slater V., Moitessier N. Integrating medicinal chemistry, organic/combinatorial chemistry, and computational chemistry for the discovery of selective estrogen receptor modulators with FORECASTER, a novel platform for drug discovery J. Chem. Inf. Model. (2012), 52, 1, 210-224 Link
FINDERS and REACT2D
Pottel J., Moitessier N. Customizable Generation of Synthetically Accessible, Local Chemical Subspaces J. Chem. Inf. Model. (2017), 2017, 57, 454-467 Link
ACE
Burai-Patrascu, M., Pottel, J., Pinus, S., Bezanson, M., Norrby, P-O., Moitessier, N. From Desktop to Benchtop – A Paradigm Shift in Asymmetric Synthesis Nature Catalysis (2020), 3, 574-584 Link
Corbeil C.R., Thielges S., Schwartzentruber J.A., Moitessier N. Toward a computational tool predicting the stereochemical outcome of asymmetric reactions: Development and application of a rapid and accurate program based on organic principles Angew.Chem. Int. Ed. (2008), 47, 14, 2635-2638 Link
MUTATE
Pottel J., Moitessier N. Single-Point Mutation with a Rotamer Library Toolkit: Toward Protein Engineering J. Chem. Inf. Model. (2015), 55, 12, 2657-2671 Link
License Inquiry
Fill out the form below and a member of our team will connect to schedule a call.