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Date: Wed Mar 30 23:25:10 2022
Subject: 22.03.30 Postdoctoral Fellow, Computational Chemistry, Janssen R&D, La Jolla, CA

Postdoctoral Fellow, Computational Chemistry, Janssen R&D, La Jolla, CA

Location: La Jolla, California
Category: R&D
Req ID 2105987963W

Job Description
Janssen R&D with Johnson and Johnson is recruiting for a postdoctoral Fellow, Computational Chemistry located in La Jolla, CA.

At the Janssen Pharmaceutical Companies of Johnson & Johnson, we are working to create a world without disease. Transforming lives by finding new and better ways to prevent, intercept, treat and cure disease inspires us. We bring together the best minds and pursue the most promising science. We are Janssen. We collaborate with the world for the health of everyone in it. Learn more at and follow us at JanssenGlobal. Janssen Research & Development, LLC is part of the Janssen Pharmaceutical Companies.

In Silico approaches play an important role in all stages of drug discovery, including identifying suitable pockets in target proteins capable of binding small molecules. While there are established computational approaches to predict and evaluate ligandable binding sites when reliable protein structures are known, there are often and increasingly so, cases where the putative binding site is potentially flexible and not detectable with current standard approaches known as cryptic pockets.

The Postdoctoral Fellow will primarily aim to develop advanced methodologies and innovative computational approaches combining physics-based, statistical and AI/ML approaches to (a) identify ligandable cryptic pockets and (b) predict allosteric sites. They will utilize the identified sites for ongoing drug discovery projects, for instance applying ultra-high throughput virtual screening or comparisons with other binding sites across the proteome for hit identification. furthermore, they will be responsible for publishing their results, targeting high-impact journals.

Job Responsibilities include, but are not limited to:

  • Improve and extend computational methodology development for cryptic pocket identification
  • Apply computational methodologies and workflows to discover allosteric (cryptic) pockets for ongoing drug discovery projects
  • Assess and utilize the ability of predicted structures to be mined for pocket identification
  • High impact publications related to project work


  • A PhD in Computational Chemistry or related field or will receive it in the next 1-6 months.
  • Proficiency with one or more academic or commercial computational chemistry packages (examples include: Maestro/Schrodinger, MOE/Chemical Computing Group, OpenEye) is required.
  • Track record of education, research experience and training in computational chemistry or related disciplines with knowledge and strong interest in development and application of computational/in silico methods within life sciences.
  • Excellent written and verbal communication skills. Track record of original scientific publications and conference contributions.
  • Independent thinking & research ideation and the ability to effectively collaborate in a matrix, global organization.
  • Motivation to carry out innovative, high-quality scientific work in an industrial setting and publish in high-impact journals.

Experience with several of the following is required

  • Python programming and implementing analytical and predictive workflows.
  • Comfortable working in Linux environment and experience with shell scripting and command line.
  • Applying computational chemistry tools and approaches for the identification and evaluation of binding sites on proteins.
  • Evaluating, benchmarking and developing methodology for structure-based drug design.
  • Protein molecular dynamics and biophysics.
  • Cheminformatics.
  • Markov state modeling.
  • Applying AI/ML techniques in life sciences/(bio)chemistry /drug discovery.
  • High Performance Computing.

Preferred Qualifications

  • Experience with or working knowledge of experimental structural biology & biophysical techniques.
  • Knowledge of physical and organic chemistry and basic medicinal chemistry.

If interested, please apply on-line at:

At Johnson & Johnson, were on a mission to change the trajectory of health for humanity. That starts by creating the worlds healthiest workforce. Through cutting-edge programs and policies, we empower the physical, mental, emotional, and financial health of our employees and the ones they love. As such, candidates offered employment must show proof of COVID-19 vaccination or secure an approved accommodation prior to the commencement of employment to support the well-being of our employees, their families and the communities in which we live and work.

For more information on how we support the whole health of our employees throughout their wellness, career and life journey, please visit .

Johnson & Johnson is an Affirmative Action and Equal Opportunity Employer. All qualified applicants will receive consideration for employment without regard to race, color, religion, sex, sexual orientation, gender identity, age, national origin, or protected veteran status and will not be discriminated against on the basis of disability.

Primary Location United States-California-La Jolla
Organization Janssen Research & Development, LLC (6084)
Job Function R&D
Requisition ID 2105987963W

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