Senior Scientist I Computational Chemistry Position Available In Worcester, Massachusetts

Job Description:

Company Description AbbVie’s mission is to discover and deliverinnovative medicines and solutions that solve serious health issuestoday and address the medical challenges of tomorrow. We strive tohave a remarkable impact on people’s lives across several keytherapeutic areas immunology, oncology, neuroscience, and eye careand products and services in our Allergan Aesthetics portfolio. Formore information about AbbVie, please visit us at www.abbvie.com .Follow @abbvie on X , Facebook , Instagram , YouTube , LinkedIn andTik Tok . Job Description The Molecular Profiling and Drug Delivery(MPDD) function within the Small Molecule CMC organization isaccountable for a broad range of deliverables across various stagesof drug discovery and development. During virtual screening/leadgeneration/optimization and through candidate selection, MPDDscientists utilize state of the art automation and computationaltools supported by expertise in biopharmaceutics, drug delivery,and solid-state chemistry to collaborativelydesign and progresscandidates with higher probability of success intodevelopment andadvise clinical formulation strategy. From candidate selectionthrough clinical proof of concept and product launch, MPDDscientistswork in cross functional teams to identify the commercialsolid form of the active pharmaceutical ingredient (API) andestablish structure-property-performance correlations to helpdeliver robust commercial processes and align control strategiesacross drug substance and product. They also transition drugsubstance isolation processes and relevant physicalcharacterization methods to commercial manufacturing sites and workwithin teams to ensure successful regulatory submissions.

Computational chemists within AbbVie’s MPPD organization workcollaborativelywith other functions within Development Sciences andDiscovery Sciences across two focus areas: Molecular design andprofiling, and formulation design across modalities, includingsmall molecules, peptides, and large molecules, towards the designand progression of compounds and formulations with optimaldevelopability properties, towards the overall vision of advancingfirst-in-class and best-in-class clinical candidates. Computationalchemists focus on developing hierarchical modeling approaches,including physics-based atomistic modeling, encompassing MolecularDynamics (MD) and Quantum Mechanics (QM), Machine learning(ML)/Artificial Intelligence (AI) and hybrid models based onPhysics-ML/AI approaches. Computational chemists also collaborateseamlessly with medicinal chemists, data scientists, materialscientists, and molecular modelers to incorporate these models inproject screening funnels and medicinal chemistry design cycle. JobDescription AbbVie’s MPDD organization is seeking a highlymotivated, talented, and creative scientist with experience andexpertise in computational chemistry for a Senior Scientistposition. This person will make key contributions towardsenablement of our modeling vision. Specifically, the person will beworking collaboratively with discovery colleagues to developstage-appropriate computational models using advanced computationaltechniques to enable design and optimization of oral anddevelopable macrocyclic peptides. The ideal candidate shouldpossess an advanced degree in computational chemistry with a strongbackground in the area such as quantum mechanics, atomisticmolecular simulations (molecular dynamics) and AI/machine learning.

Responsibilities In collaboration with Discovery Research andDevelopment Sciences project teams, utilize advanced computationaltools towards the design, optimization, and profiling ofmacrocyclic peptides, large and small molecule drug candidatesAdvance our peptide and large molecule computational chemistrycapabilities through innovation and implementation of newmethodologies and workflows towards capturing key developabilityproperties such as permeability, stability, and solubility.

Examples include, but are not limited to, utilization of molecularsimulations/QM approaches, coupled with AI/ML approaches, topredict dynamic molecular conformations and stability frommacrocyclization and residue modifications, towards their impact onAbsorption, Distribution, Metabolism, and Excretion (ADME)properties and Chemistry, Manufacturing and Controls (CMC)properties. Serve as a lead computational scientist on projectteams and drive the development and implementation of appropriatecomputational models within projects to support various aspects ofdrug discovery and drug development. Generate hypotheses forcompound property improvement and apply them to new compound designContribute to the development of computational infrastructure byidentification of novel tools and techniques Play a strong teamplayer in a cross functional collaborative environment Demonstrateexcellent communication skills and specifically Illustrate strongoral and written technical communications Promote design-driven andpredict-first culture Educate and train colleagues on variouscomputational tools and techniques Qualifications Bachelors,Masters, or PhD with 8 (BS), 5 (MS), and 0-3 (PhD) years ofexperience in computational chemistry, computer science,biophysics, chemical engineering, or related field Knowledge in oneor more areas of the computational chemistry discipline, such asquantum mechanics, molecular dynamics, structure-based design,ligand-based design, structure property relationship modeling,physicochemical property prediction Advanced user of QM or MDsoftware packages. This may include open-source codes (GROMACS,Open

MM, LAMMPS

) or commercial software (Schrodinger, OpenEye, MOE,etc). Ability to build and integrate computational models throughcombining different workflows while also modifying or improvingworkflow source codes as needed. Familiarity with machine learningor neural network packages including but not limited toScikit-learn, Pytorch, Well versed in writing codes in Python, R,C/C++ etc. Key Competencies Builds strong relationships with peersand cross functionally with partners outside of team to enablehigher performance. Learns fast, grasps the “essence” and canchange course quickly where indicated. Raises the bar and is neversatisfied with the status quo. Creates a learning environment, opento suggestions and experimentation for improvement. Embraces theideas of others, nurtures innovation and manages innovation toreality Additional Information Applicable only to applicantsapplying to a position in any location with pay disclosurerequirements under state or local law: The compensation rangedescribed below is the range of possible base pay compensation thatthe Company believes ingood faith it will pay for this role at thetime of this posting based on the job grade for this position.

Individualcompensation paid within this range will depend on manyfactors including geographic location, and we may ultimatelypaymore or less than the posted range. This range may be modified inthe future. We offer a comprehensive package of benefits includingpaid time off (vacation, holidays, sick),medical/dental/visioninsurance and 401(k) to eligible employees.

This job is eligible to participate in our short-term incentiveprograms.

Note:

No amount of payis considered to bewages orcompensation until such amount is earned, vested, anddeterminable.

The amount and availability of any bonus, commission,incentive, benefits, or any other form of compensation andbenefitsthat are allocable to a particular employee remains in theCompany’s sole and absolute discretion unless and until paid andmaybe modified at the Companys sole and absolute discretion,consistent with applicable law. AbbVie is an equal opportunityemployer and is committed to operating with integrity, drivinginnovation, transforming lives and serving our community. EqualOpportunity Employer/Veterans/Disabled. US & Puerto Rico only – tolearn more, visithttps://www.abbvie.com/join-us/equal-employment-opportunity-employer.htmlUS & Puerto Rico applicants seeking a reasonable accommodation,click here to learn more:https://www.abbvie.com/join-us/reasonable-accommodations.html