From bioisosteric replacements to interactive structure and ligand-based drug design, computational chemistry is an integral part of many of our medicinal chemistry projects. Our computational chemists have a solid background in synthetic chemistry and factor synthetic feasibility into their molecular design activities.
At Symeres, we develop modeling approaches tailored to customer requirements. Our arsenal of molecular modeling software includes Spark, MOE, and Maestro, and we employ state-of-the-art protein and data visualization software to generate insight into how lead molecules bind to the target protein, either via experimental data or molecular docking.
Our Medicinal Chemistry teams employ advanced data visualization and analysis tools, such as DataWarrior and LiveDesign, which allow for expert property interrogation, trend studies, and R-group analyses. Our workflows allow our chemists to submit design ideas for automatic docking to filter and refine their design hypotheses.
We offer molecular modelling as an integrated component of any medicinal chemistry project and as a stand-alone service. To learn more about the approach that we take to computational medicinal chemistry, click here to read an interview with our team.
