- Astellas Pharma (Cambridge, MA)
- …proteins, bifunctional degraders, and biologics. **Essential Job Responsibilities:** + Computational Drug Design: Apply molecular modeling , docking, molecular ... ** Computational Chemist Lead** Do you want to be...and free energy perturbation (FEP). + Skilled in homology modeling , pharmacophore modeling , and quantum mechanics… more
- Takeda Pharmaceuticals (Boston, MA)
- …docking, virtual screening, molecular dynamics, free energy perturbation, homology modeling , quantum mechanics , pharmacophore elucidation, data mining, machine ... therapies to patients worldwide. **_Objective / Purpose:_** + As a Senior Computational Chemistry Leader, you will work as part of a multi-disciplinary team… more
- Frontier Medicines (Boston, MA)
- …a highly motivated individual to fill the position of Principal Scientist, Computational Chemistry. The successful candidate will play a leading role in developing ... structure-based design approaches and leveraging data from chemoproteomics, AI and quantum mechanics . This role is key to Frontier Medicines' success and an… more
- Takeda Pharmaceuticals (Boston, MA)
- …methodology including large-scale virtual screening, ligand ability analyses, homology modeling , quantum mechanics , pharmacophore elucidation, machine learning ... medicinal chemists, structural biologists, data scientists and biologists and provide computational expertise to advance drug discovery projects + Contribute to drug… more
- Schrodinger (Cambridge, MA)
- …sampling/free energy calculation methods, ligand-based drug design, chemoinformatics, quantum mechanics , and/or structural modeling + Python programming ... quality of life through the development, distribution, and application of advanced computational methods. Schrodinger is on the cutting edge of computer-aided drug… more
- Harvard University (Cambridge, MA)
- …and Applied Sciences Department/Area Applied Math Position Description The Computational Science and Engineering Laboratory at Harvard University invites ... scientific Computing and Artificial Intelligence for applications pertaining to fluid mechanics of turbulent and environmental flows starting September 1, 2025, or… more