Senior Director, Computational Chemistry

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  • Anywhere

Website Neomorph, Inc

Neomorph, Inc

Company : Neomorph, Inc

Country: United States

Location : San Diego, California

Post: Mon, 20 Sep 2021 06:29:41 GMT

Expires: Mon, 18 Oct 2021 23:59:59 GMT

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—————————— Job Description ——————————

Neomorph is a venture backed biotechnology company solving critical problems in human health through the discovery and development of innovative new medicines against ‘undruggable targets’. Our team is comprised of industry leading experts in protein degradation and molecular glues who have a track record of ground-breaking discoveries in the field. We are committed to leadership in advancing the science and technology of molecular glue drug discovery, while prosecuting a pipeline of projects through clinical development.


Our patient-first, science-driven approach is complemented by our dedication to a supportive and collaborative work environment. Neomorph is headquartered in San Diego, California, and has a key collaboration with the Center for Protein Degradation at the Dana Farber Cancer Institute.


Remote work options available for highly qualified candidates.


Our Ideal Candidate:


You are a highly talented and motivated leader in the computational chemistry space with broad expertise in structure-based drug design and strong scientific programming skills. You have a background working within the life sciences industry and are passionate about using your expertise to contribute to leading chemistry efforts within a multi-disciplinary drug discovery team.

As part of a multi-disciplinary team comprised of leaders in the field of targeted protein degradation, you will be engaged in target selection and hit finding, through to lead optimization and drug candidate selection, as well as exploratory efforts to identify new aspects of this compelling field.  

Develop methodologies to inform on protein-protein interactions, small molecule-protein interactions and conformational space

Generate structural hypotheses to impact the design of molecules for both structure-based and ligand-based workflows, including development of pharmacophore and QSAR models, ligand docking, virtual screening, protein-protein interaction, MD simulation and energy perturbation calculations.

Lead chemistry efforts within a multi-disciplinary drug discovery

Through computer-aided drug design and simulation techniques, help to drive hit discovery, lead optimization and drug candidate selection. Influence the design of compounds towards improved potency, selectivity functional activity and/or ADME properties.

Develop custom tools to enable data analysis, sharing and visualization.

Evaluate and establish collaboration with contract research organizations and academic institutions, enabling access to external innovation in support of internal projects.

Contribute to the strategic direction of the group.

PhD with 15+ years of relevant experience with proven record in drug design / discovery principles.

Experience with structure-based drug design (SBDD), which includes small molecule docking, pharmacophore models, virtual screening, molecular dynamics simulations and related techniques for protein-ligand interaction calculations.

Experience with ligand-based modeling, including QSAR methods (modern machine learning techniques is a plus), small molecule conformational analysis and 3D overlays.

Cheminformatics expertise, such as chemical reaction/library enumeration, 2D/3D similarity, clustering, dimensionality reduction techniques, etc. connected to data mining and data visualizations.

Expertise with protein modeling, such as ab-initio structure prediction and protein-protein docking (rosetta++ or similar protein modeling suite), protein conformational flexibility (e.g. using MD simulations), homology modeling, etc.

Strong scientific programming skills (e.g. Python, R) and pipelining tools, (e.g. Knime), preferably in Linux environment.

Expertise in medicinal chemistry and basic knowledge of synthetic organic chemistry.

Ability to work within cross-functional teams, demonstrate abilities as a self-starter, leader & mentor and as a creative and adaptable scientist.


Neomorph provides equal employment opportunities (EEO) to all employees and applicants for employment without regard to religion, race, creed, color, sex, sexual orientation, alienage or citizenship status, national origin, age, marital status, pregnancy, disability, veteran or military status, predisposing genetic characteristics or any other characteristic protected by applicable federal, state or local law. 






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