Sr. Scientist, Computational Chemistry

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.

Responsibilities

• Communicates and presents computationally derived results to the discovery project teams to facilitate effective decision-making & demonstrate an independent work style while being fully collaborative & team-oriented.
• 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.
• 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.
• Led 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.

Requirements

• 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
• 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.
• 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.
• Recognizes anomalous and inconsistent results and interprets experimental outcomes.
• Exhibits 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.
• Works as part of a team; may train lower levels.
• Strong computer skills.
• Strong communications, problem-solving, analytical thinking skills.
• Detail oriented yet can see broader picture of scientific impact on team.
• Able to meet multiple deadlines, with a high degree of accuracy and efficiency.
• Strong project management skills.
• A collaborative & team-oriented mindset is essential.

Benefits

• Annual base salary range: $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.
• Annual bonus with a target of 20% of the earned base salary.
• Eligibility to participate in our equity based long term incentive program.
• Retirement savings plan (with company match).
• Paid vacation, holiday and personal days.
• Paid caregiver/parental and medical leave.
• Health benefits to include medical, prescription drug, dental and vision coverage in accordance with the terms and conditions of the applicable plans.