Senior Scientist I, MPDD

Location

Worcester, MA | United States

Job description

AbbVie’s mission is to discover and deliver innovative medicines that solve serious health issues today and address the medical challenges of tomorrow. We strive to have a remarkable impact on people’s lives across several key therapeutic areas: immunology, oncology, neuroscience, eye care, virology, women’s health and gastroenterology, in addition to products and services across its Allergan Aesthetics portfolio.

The Molecular Profiling and Drug Delivery (MPDD) function within the Small Molecule CMC organization is accountable for a broad range of deliverables across various stages of drug discovery and development. During lead optimization and through candidate selection, MPDD scientists utilize state of the art automation and computational tools supported by expertise in biopharmaceutics, drug delivery, and solid-state chemistry to collaboratively progress candidates with higher probability of success into development and advise clinical formulation strategy. From candidate selection through clinical proof of concept and product launch, MPDD scientists work in cross functional teams to identify the commercial solid form of the active pharmaceutical ingredient (API) and establish structure-property-performance correlations to help deliver robust commercial processes and align control strategies across drug substance and product. They also transition drug substance isolation processes and relevant physical characterization methods to commercial manufacturing sites and work within teams to ensure successful regulatory submissions.

Computational chemists within AbbVie's MPPD organization work collaboratively with other functions within Development Sciences and Discovery across three focus areas; Molecular Design, Material Design, and Structural determinants of absorption towards the vision to model low dose compounds with optimal potency, clearance, permeability, and solubility before synthesizing them and atomistic level understanding of materials properties and performance. Computational chemists focus on developing a hierarchical modeling approach including models based on Quantum Mechanics (QM), Machine learning (ML)/Artificial Intelligence (AI) and hybrid models based on QM-ML/AI approach. Computational chemists also collaborate seamlessly with medicinal chemists, data scientists, material scientists, and molecular modelers to incorporate these models in project screening funnels and medicinal chemistry design cycle.

AbbVie's MPDD organization is seeking a highly motivated, talented, and creative scientist with experience and expertise in computational chemistry for a Senior Scientist position. This person will make key contributions towards enablement of our modeling vision. Specifically, the person will be working collaboratively with discovery colleagues to develop stage appropriate computational models using advanced computational techniques to enable design and optimization of drug candidates. Ideal candidate should possess an advanced degree in computational chemistry with a strong background in the area such as quantum mechanics, atomistic molecular simulations (molecular dynamics) and AI/machine learning. 

Responsibilities 

· Build computational models for variety of applications to enable design and optimization of drug candidates for advancement into and progression in the clinic. Examples include, but not limited to, utilization of molecular simulation/QM approaches to predict binding affinities of ligands, protein dynamics, permeability/chameleonicity of bR05 molecules, crystal structures, aqueous/organic solubilities, stability, and thermodynamic stability relationships among different solid forms

· Serve as a lead computational scientist on project teams and drive the development and implementation of appropriate computational models within projects to support various aspects of drug discovery and drug development.

· Generate hypotheses for compound property improvement and apply them to new compound design

· Advance our computational chemistry capabilities through innovation and implementation of new methodologies and workflows

· Contribute to the development of computational infrastructure by identification of novel tools and techniques

· Play a strong team player in a cross functional collaborative environment

· Demonstrate excellent communication skills and specifically

o I llustrate strong oral and written technical communications

o P romote design-driven and predict-first culture

o E ducate and train colleagues on various computational tools and techniques

Qualifications

• Bachelors, Masters, or PhD with 8+ (BS), 5+ (MS), and 0-3 (PhD) years of experience in computational chemistry, computer science, biophysics, chemical engineering, or related field
• Knowledge in one or more areas of the computational chemistry discipline, such as quantum mechanics, molecular dynamics, structure-based design, ligand-based design, structure property relationship modeling, solid form design, physicochemical property prediction
• Advanced user of QM, ML, MD packages available via opensource or commercial vendors (Schrodinger, OpenEye, MOE, etc) with demonstrated ability to build and integrate computational models.
• Well versed in writing codes in Python, Jupiter, R, C/C++ etc.

AbbVie is committed to operating with integrity, driving innovation, transforming lives, serving our community, and embracing diversity and inclusion. It is AbbVie’s policy to employ qualified persons of the greatest ability without discrimination against any employee or applicant for employment because of race, color, religion, national origin, age, sex (including pregnancy), physical or mental disability, medical condition, genetic information, gender identity or expression, sexual orientation, marital status, status as a protected veteran, or any other legally protected group status.

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