The Broad Institute is an amazing place - we exist to apply our deep knowledge of human genetics to empower a revolution in biomedicine and accelerate the pace at which the world conquers disease. The Broad Institute’s Center for the Development of Therapeutics (CDoT) and its team of professional “drug hunters partner with faculty at MIT, Harvard and the Harvard teaching hospitals to translate emerging biological insights into novel therapeutic strategies. We couple novel technologies and approaches to industry-standard drug discovery rigor to tackle some of the most challenging targets across a wide range of disease areas (including oncology, cardiovascular disease and diabetes, psychiatric disease, and infectious disease). Overall responsibilities The successful candidate will primarily support medicinal chemistry efforts to advance current therapeutic projects within CDoT through structure-based and ligand-based modeling approaches. Work will be done in collaboration with scientists with extensive drug discovery experience in cell biology, biophysics, cheminformatics, structural biology, analytical chemistry, protein science, and NMR. The candidate will also work closely with geneticists where he/she will be involved in the analysis of a large scale missense variant mapping project. The successful candidate will initiate and conduct computational research on the design and evaluation of chemical analogs during medicinal chemistry programs and drug development. The candidate should be familiar with current software and computational tools that aid in the design and evaluation of chemical analogs (including but not limited to MOE, Schrödinger, Gold, Jaguar, Molsoft ICM, Cresset Torch, Forge, Blaze, OpenEye (ROCS, EON, OMEGA)). This position will include the procurement, analysis, evaluation and development of computational tools to be used in conjunction with X-ray crystallographic data and homology models based on protein structures. The successful candidate will report to a senior computational chemist within the chemistry team in CDoT. Characteristic Duties Ph.D. in computational chemistry, computational biology, or related field is required Minimum 2-5 years of experience relevant to drug discovery preferred Strong oral and written communication skills required Communicate and collaborate effectively with medicinal chemists, structural biologists and other members of cross-functional project teams Ability to work independently and collaboratively in a multidisciplinary, team-oriented environment Effective communication of data and structural designs using graphics and interactive sessions Demonstrated skills in the application of computer-assisted drug design using modeling and computational software Able to handle multiple early stage drug discovery projects Working knowledge of medicinal chemistry and drug discovery State-of-the-art knowledge of standard and advanced computational chemistry methods and software Contribute to drug discovery efforts by applying computational chemistry approaches such as ligand docking, molecular dynamics simulations, pharmacophore modeling, QSAR/ADMET models, and small library design Generate, assess, and prioritize ligand designs using modeling tools such as those found in Cresset, CCG, OpenEye, and Schrödinger packages Analyze prospective protein targets for druggability and therapeutic relevance using computational methods and available databases Experience in molecular dynamics and free energy perturbation calculations desirable Advanced knowledge of UNIX/Linux and queueing systems, and cloud computing solutions to perform large calculations Programming experience in scripting languages including R and Python and/or programming languages (Java, C, C++). Experience with web application and database design desirable. Maintain and develop working knowledge of contemporary computational chemistry methods and their use in ligand design and data analysis as applied to drug design projects #LI-POST All qualified applicants will receive consideration for employment without regard to race, color, religion, sex, sexual orientation, gender identity, national origin, disability or protected veteran status.
