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Job title: Director of Computational Drug Discovery and Structural Biology


The successful candidate will interface with medicinal chemists, biologists, biophysicists, protein crystallographers, research informaticians, other computational chemists, and program managers, with a primary responsibility of providing scientific guidance as a seasoned computational chemist coupled with a broad base of extensive prior drug discovery problem solving. Desirable competencies include structure-based molecular design, virtual screening, library design, peptide& peptidomimetic modeling, structural bioinformatics, chemi-informatics, statistical modeling, ligand-based 3D-pharmacophore development, database searching, conformational analyses as well as management of integrated drug discovery projects. Ability to engage key academics to help solve mechanistic questions. The position requires a Ph.D. degree in computational chemistry or a related field with ample firsthand experience in applying computational methodologies in a pragmatic manner that has clearly and demonstrably impacted projects. Experience in one or all the following: Protein-Protein, RNA-protein, and DNA-Protein interaction complexes is a major plus. Creative problem solving is highly valued and strong communication skill is essential. Demonstrated ability to manage scientists and a plus at CROs.


The position reports to the Vice President of Chemistry and will based in either Los Angeles, CA or Princeton, N.J.


Job Responsibilities

Role of a Director of Computational Drug Discovery and Structural Biology is to lead and support activities including, but not limited to:

·      Structural biology encompasses protein chemistry, crystallography (CryoEm) and Biophysics

·      Ensuring effective computational chemistry project support through firsthand work and by providing technical oversight and management of external resources at our CROs

·      Serve as an internal domain expert in computational chemistry, biophysics, and protein crystallography; identify and bring as needed external expertise in comp chem, crystallography, and biophysics and facilitate coordinated deployment of these capabilities for internal programs.

·      Assessment and implementation of effective emerging methodologies, such as cloud computing, and machine learning

·      Collaborate in the construct design and identification of amino acids for mutagenesis study

·      Impactful delivery of strategies for crystal structures (protein, RNA, DNA) and ligand-based drug design

·      Providing guidance and oversight for FTEs and other resource allocation of computational chemistry, structural biology, and biophysical resources at CROs


Qualifications of a Director of Computational Drug Discovery and Structural Biology:

  • Ph.D. in computational chemistry, and or Crystallography or related field

·      10 plus years of industry experience working across integrated drug discovery projects

·      Experience in managing a computational chemistry team internal and external

·      Experience with working closely with protein chemists, crystallographers, and biophysicist

·      Knowledge of current computational chemistry and application thereof in drug discovery

  • Extensive firsthand experience with commercial molecular modeling and data mining software
  • Ability to manage ideas from multiple sources, including colleagues, scientific literature, and patents
  • Excellent oral and written communication skills



  • Honest, ethical, diligent, innovative, and a team player
  • Flexible, open minded, ability and desire to listen to others
  • Motivate, guide, and inspire integrated teams

About CHDI Foundation, Inc.

CHDI Foundation, Inc. is a privately-funded, not-for-profit, biomedical research organization that is exclusively dedicated to rapidly discovering and developing therapies that slow the progression of Huntington’s disease (HD). Our scientists work closely with a network of more than 600 researchers in academic and industrial laboratories around the world in the pursuit of these novel therapies, providing strategic scientific direction to ensure that our common goals remain in focus. This helps bridge the translational gap that often exists between academic and industrial research pursuits and that adds costly delays to therapy development. In its role as a collaborative enabler, CHDI seeks to bring the right partners together to identify and address critical scientific issues and move drug candidates to clinical evaluation as rapidly as possible. Our activities extend from exploratory biology to the identification and validation of therapeutic targets, and from drug discovery and development to clinical studies and trials. More information about CHDI can be found at

About CHDI Management, Inc.

CHDI Management, Inc. was established in 2002 to provide administrative, management and grant making services to CHDI Foundation, Inc.