Sr. Scientist, Computational Chemistry

## Sr. Scientist, Computational Chemistry Apply remote type:
On-Site locations:
US CA San Diegotime type:
Full time posted on:
Posted Todayjob requisition :
R6998##

Who We Are:

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 , and follow the company on Linked In, X, Facebook and You Tube.

(
* in collaboration with Abb Vie*)  ##

About the Role:

Responsible for driving the execution of computational driven methodologies to help design optimized compounds with balanced properties (targets, DMPK, in-vivo) in drug discovery programs. Provides impactful insights and collaboration on projects ranging from early lead identification to the late-stage optimization of advanced projects. Serves as a subject matter expert in 1 or more molecular discovery approaches such as:
Structure-based Design & FEP, Virtual Screening, Quantum Chemistry, Machine Learning / Modern AI etc. Responsible for the communication and presentation of computationally derived results to the discovery project teams to facilitate effective decision-making & demonstrate an independent work style while being fully collaborative & team-oriented. ## Your Contributions (include, but are not limited to):
* 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…