Molecular Modeller
- Location
- Cambridge, England, United Kingdom
lead optimization, ensuring alignment with project schedules. Interpret crystallographic and cryo-EM data and support structure determination. Analyze protein-ligand structures and guide medicinal chemistry through binding mode hypotheses, SAR interpretation, and design of novel analogs. Apply cutting-edge molecular modelling approaches including docking, molecular dynamics, QM, free energy calculations … models and machine learning methodologies to design and optimize new molecules. Communicate findings in team and project meetings PhD (or equivalent experience) in Computational Chemistry, Medicinal Chemistry, Structural Biology, or related discipline. Strong understanding of drug discovery and SBDD. Experience with molecular modelling software (e.g. Schrödinger, MOE, OpenEye, Cresset ...