Senior Scientist I, Computational Chemistry

Vir Biotechnology

Vir Biotechnology is a commercial-stage immunology company focused on combining immunologic insights with cutting-edge technologies to treat and prevent serious infectious diseases. Vir has assembled four technology platforms that are designed to stimulate and enhance the immune system by exploiting critical observations of natural immune processes. Its current development pipeline consists of product candidates targeting COVID-19, hepatitis B and hepatitis D viruses, influenza A and human immunodeficiency virus. 

We believe the success of our colleagues drives the success of our Mission. We have an ongoing commitment to creating a company passionate about equality, inclusion, and respect. When everyone feels supported and encouraged to give at their best, we will collectively deliver outstanding results.

Job Summary:

The Vir Small Molecule Discovery group is seeking an experienced scientist to become the foundational hire of our small molecule molecular modeling group.  The successful candidate will collaborate in interdisciplinary discovery teams to help invent new small molecule and bioconjugate medicines. Informatics and modeling techniques will be used to accelerate lead identification and lead optimization activities.  The candidate will also be expected to take on mentoring and leadership responsibilities over time.


  • Work independently to create and evaluate structural models of small molecule-protein complexes
  • Prepare structures for modeling, including building protein homology models and preparation of ligand libraries
  • Perform and analyze docking simulations
  • Perform binding free energy calculations in collaboration with other group members
  • Work closely with structural biology, medicinal chemistry, DMPK, and data sciences colleagues to interpret results and recommend improvement strategies
  • Manage internal and external compute resources, scripting notebooks, data archives and other tasks as required.
  • Maintain a current understanding of relevant literature and methodologies related to molecular modeling as well as to specific drug discovery projects.
  • Present results internally and externally.



  • PhD in biochemistry, chemistry, structural biology or related field and 4+ years of relevant experience, or MA/MS and 8+ years of relevant experience
  • Extensive experience with structure-based drug discovery including preparing protein structures, molecular docking, protein-ligand simulations and analyzing small molecule-protein complexes
  • Ability to use chemical structures and biological activity to guide novel compound design, both independently and in collaboration with medicinal chemists
  • Knowledge of medicinal chemistry principles, including DMPK optimization
  • Experience with machine learning methods and the desire to integrate these methods into drug discovery efforts
  • Experience with alchemical free energy simulation methods like FEP or TI.
  • Working knowledge of force field development, including torsion parameterization and partial charge models.
  • Familiarity with enterprise suites like MOE
  • Experience applying quantum chemistry to molecular simulations is preferred, but not required.
  • Ability to work in a high-paced team environment, meet deadlines, and prioritize work from multiple projects.
  • Strong written and verbal communication skills.


Vir’s compensation and benefits are aligned with the current market and commensurate with the person’s experience and qualifications. All full-time employees receive a package that includes: compensation, bonus and equity as well as many other Vir benefits and perks such as: health, dental, vision, life and disability insurance benefits, non-accrual paid time off, company shut down for holidays, commuter benefits, child care reimbursement, education reimbursement, 401K match and lunch for all lab essential personnel!

Vir is an equal opportunity employer.  We value diversity at our company. We do not discriminate on the basis of race, religion, color, national origin, sex, gender, gender expression, sexual orientation, age, marital status, veteran status, or disability status. We will ensure that individuals with disabilities are provided reasonable accommodation to participate in the job application or interview process, to perform critical job functions, and to receive other benefits and privileges of employment. Please contact Human Resources to request accommodation.

Vir Human Resources leads recruitment and employment for Vir. Unsolicited resumes sent to Vir from recruiters do not constitute any type of relationship between the recruiter and Vir and do not obligate Vir to pay fees should we hire from those resumes. We ask that external recruiters and/or agencies not contact or present candidates directly to our hiring manager or employees.

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Tagged as: biochemistry, chemistry, structural biology

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