From the sequence of a GPCR target to the lead optimization of chemical modulators.
MODSIM offers a variety of products, which can be efficiently combined to develop new compounds. The below image shows an example of our workflow applied to GPCRs.
A published example of the workflow:
Structure-based design of potent and selective ligands at the four adenosine receptors
W. Jespers, A. Oliveira, R. Prieto-Díaz, M. Majellaro, J. Åqvist, E. Sotelo, H. Gutiérrez-de-Terán, Molecules 2017, 22 (11), 1945.