Perform structural analysis to evaluate new targets, including druggability analysis, selectivity analysis, sequence analysis, etc.Propose new compound designs based on traditional CADD methods.Write new scripts/code to implement workflows that enable large-scale analyses of compounds and targets.Develop, maintain, and improve our computational platform and workflows.Run virtual screens to find new hits/leads.Generate large numbers of compound proposals using any method, including virtual library construction, SBDD, LBDD, pharmacophore methods.
#Advanced discovery inc free
Run free energy predictions on a large number of compounds to rank order new proposed compounds.Run large number of molecular dynamics simulations and related accelerated methods to evaluate new target structures or compound ideas.
Specific tasks likely to be performed by members of the group include (but are not limited to) the following. Additionally, the team builds, tests, and maintains our computational drug discovery platform. The purpose of the Advanced Computation Group is to focus on large-scale calculations (including MD, accelerated MD, Simulation-based activity predictions, and AI) to propose and evaluate large numbers of new compounds and rank order them for synthesis and screening. The successful candidate will work closely with our R&D team including our head of computational chemistry, medicinal chemistry team, biology team, consultants, advisors, and our CROs to help advance our drug discovery programs and drug discovery collaborations. Job Description: Modulus Discovery is seeking a qualified computational chemist to fill an opening in our Advanced Computation Group. Location: Cambridge, MA (remote work may be considered for exceptional candidates) Modulus currently has the following opening in the Advanced Computation Group.
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