Posted:
7/13/2026, 2:57:52 AM
Location(s):
California, United States ⋅ San Diego, California, United States
Experience Level(s):
Senior
Field(s):
AI & Machine Learning
Workplace Type:
On-site
Pay:
$111k–$151k/yr
Neurocrine Biosciences is a leading biopharmaceutical company with a simple purpose: to relieve suffering for people with great needs. We are dedicated to discovering, developing and commercializing life-changing treatments for patients with under-addressed neurological, psychiatric, endocrine and immunological disorders. The company's diverse portfolio includes FDA-approved treatments for tardive dyskinesia, chorea associated with Huntington's disease, classic congenital adrenal hyperplasia, hyperphagia in patients with Prader-Willi syndrome, endometriosis* and uterine fibroids*, as well as a robust pipeline including multiple compounds in mid- to late-phase clinical development across our core therapeutic areas. For more than three decades, we have applied our unique insight into neuroscience and the interconnections between brain and body systems to treat complex conditions. We relentlessly pursue medicines to ease the burden of debilitating diseases and disorders, because you deserve brave science. For more information, visit neurocrine.com, and follow the company on LinkedIn, X, Facebook and YouTube. (*in collaboration with AbbVie)
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This is an on-site role requirement (in San Diego site)
Prior experience with independently driving drug discovery projects is highly desired for this role
Domain knowledge of most or all the following: Physical Chemistry, Computational Chemistry, Cheminformatics, Protein Modeling/ Molecular Dynamics, Molecular Modeling as employed for the optimization of lead compounds
Molecular Modeling applied to compound design and optimization such as Pharmacophore Analyses, Library Design, virtual HTS, Diversity/Similarity Analyses, Scaffold Hopping
Protein-Ligand Modeling that includes well-known commercial docking tools as well as Molecular Dynamics methods, & experience with post-docking processing
Develops advanced Machine Learning/AI in-silico models for modeling DMPK/in-vitro Biology endpoints, for front-loading projects with appropriate predictive information, & enable more efficient MPO analyses & new compound designs
May have an exposure to harnessing large datasets including public domain datasets of chemistry related to various targets and/or chemogenomic nature
Ability to demonstrate an overall application of several integrated approaches (ex: ML derived predictions, Modeling SBD/ LBD) to progress compound design contextual in drug discovery, exhibiting innovative approaches that tweak commercial solutions
Independently driving forward Drug Discovery projects involving Structure Based Design including, but not limited to, target protein flexibility considerations
Serves as an independent Comp Chem representative on Project teams, and works with minimal additional guidance, while demonstrating clear impact on project’s chemical series evolution
Advances the company’s computational platform with expert knowledge providing innovative ideas to make significant contributions, that is aligned with team’s strategy to progress compounds forward for multiple projects
Leads 1-2 advanced technology platforms, defining new computational methods, in tandem with self-interest and relevance to projects, to help augment Neurocrine’s Computational Chemistry platform for Drug Discovery
Engages stakeholders from multiple Research functions to deliver and/or exchange key results
Drives and/or aligns with strategies emanating from project teams, department and computational chemistry group
Provides training and/or supervision to junior staff, as needed
Other duties as assigned
BS/BA degree in Chemistry and 5+ years of relevant experience, including familiarity utilizing any or all of the following: Protein-Ligand modeling, Molecular Dynamics, Homology Modeling is preferred OR
MS/MA degree in Chemistry and 3+ years of similar experience noted above OR
PhD in Computational Chemistry or related field and some relevant experience. Postdoctoral experience in Cheminformatics preferred
Experience in one or more of the following Molecular Modeling domains is highly desirable: Protein Ligand docking & post-docking processing, Molecular Dynamics, Homology Modeling, Quantum Chemistry, Pharmacophore Analyses and Diversity Analyses
Comfortable with routine programming & scripting including python, C++ and/or R
Working knowledge about computational technologies for the assessment of early-stage targets (ex: druggability)
Familiarity with well-known commercial molecular modeling software suites is also desirable such as Schrodinger, CCG or Open Eye
Demonstrates solid level of understanding project / group goals and methods
Consistently recognizes anomalous and inconsistent results and interprets experimental outcomes
Able to explain the process behind the data and implications of the results
Strong knowledge of one or more scientific disciplines, becoming expert in one discipline
Strong knowledge of scientific principles, methods and techniques
Strong knowledge and demonstrated ability working with a variety of laboratory equipment/tools
Ability to work as part of a team; may train lower levels
Excellent computer skills
Strong communications, problem-solving, analytical thinking skills
Detail oriented yet can see broader picture of scientific impact on team
Ability to meet multiple deadlines, with a high degree of accuracy and efficiency
Strong project management skills
A collaborative & team-oriented mindset is essential
#LI-LS1
Neurocrine Biosciences is an EEO/Disability/Vets employer.
We are committed to building a workplace of belonging, respect, and empowerment, and we recognize there are a variety of ways to meet our requirements. We are looking for the best candidate for the job and encourage you to apply even if your experience or qualifications don’t line up to exactly what we have outlined in the job description.
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The annual base salary we reasonably expect to pay is $110,800.00-$151,000.00. Individual pay decisions depend on various factors, such as primary work location, complexity and responsibility of role, job duties/requirements, and relevant experience and skills. In addition, this position offers an annual bonus with a target of 20% of the earned base salary and eligibility to participate in our equity based long term incentive program. Benefits offered include a retirement savings plan (with company match), paid vacation, holiday and personal days, paid caregiver/parental and medical leave, and health benefits to include medical, prescription drug, dental and vision coverage in accordance with the terms and conditions of the applicable plans.Website: https://neurocrine.com/
Headquarter Location: San Diego, California, United States
Employee Count: 1001-5000
Year Founded: 1992
IPO Status: Public
Last Funding Type: Post-IPO Equity
Industries: Biotechnology ⋅ Health Care ⋅ Pharmaceutical
Visa Sponsorship: Sponsors work visas