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Job Details

GlaxoSmithKline (GSK)

Investigator - Molecular Design



Full Time

On Site


Collegeville, Pennsylvania, United States

Site Name: USA - Pennsylvania - Upper Providence
Posted Date: Jan 17 2023

Location: Upper Providence, PA

Hybrid workplace and relocation assistance offered

We are seeking a highly motivated individual to join our Molecular Design team as part of the Computational Sciences group. At GSK, we aim to efficiently accelerate the discovery and development of transformational medicines through the integration of advanced computational methods, predictive in silico models, and expert analyses. By applying these computational strategies we will shape the company’s future by working across all of GSK Pharma and Vaccines R&D teams to deliver a strategy that informs the most efficient way to deliver novel therapeutic modalities through computational design and achieve GSK’s therapeutic requirements for a clinically differentiable medicine.

The successful applicant will collaborate with preclinical research and development business partners to impact the pipeline from target identification, modality selection, and molecule design to ultimately identifying clinical candidate therapeutics that will greatly improve and impact the lives of the patients we serve.

Key responsibilities:

  • Collaborate with experimental groups to drive compound design and improve models using structure-based drug design, ligand-based design, including docking, free energy perturbation, QSAR modeling, conformational analysis, and QM modeling.
  • Work with biology team members to assimilate data from experiments, optimize those experiments and integrate that data into compound design.
  • De novo design and multi-objective optimization of tool compounds and target specific medicines
  • Partner with other Computational Science colleagues to develop and embed computational methods in visualization packages to enable experimental multi-variate analysis and data-driven decision-making
  • Collaborate with team members to further develop computational methods to enhance our internal compound design and synthesis

Why you?

Basic Qualifications:

  • PhD or MS in Computational Chemistry, Cheminformatics, Physics, Biophysics, Chemistry or related field
  • 0-5+ years industry experience
  • Demonstrated scientific contributions documented with publications and/or presentations
  • Experience with one or more of the following: Virtual screening, structure-based and ligand-based approaches to design small molecules, physicochemical property and ADMET optimization with QSAR models
  • Expertise working in a Linux/Unix environment

  • Ability to write code in one or more scripting languages (e.g., Python)

Preferred Qualifications:

  • Strong organizational and communication skills (both written and oral), with the ability to liaise and communicate computational procedures and outcomes with scientists and collaborators
  • Knowledge of the drug discovery process, for example medicinal chemistry, toxicology, DMPK, and/or screening data analysis
  • Expertise with molecular simulation, enhanced sampling and/or statistical analysis
  • Ability to present data in team meetings and participate in writing abstracts and publications
  • Independently review and appraise scientific literature
  • Experience using bioinformatics methods for protein structure prediction and design
  • Strong knowledge of chemical and protein structure
  • Interact with multi-disciplinary matrix teams to address key goals, exhibiting excellent interpersonal skills
  • Experience generating/applying machine learning in QSAR and other chemo-centric predictive models

Why GSK?

Our values and expectations are at the heart of everything we do and form an important part of our culture.

These include Patient focus, Transparency, Respect, Integrity along with Courage, Accountability, Development, and Teamwork. As GSK focuses on our values and expectations and a culture of innovation, performance, and trust, the successful candidate will demonstrate the following capabilities:

  • Agile and distributed decision-making – using evidence and applying judgement to balance pace, rigour and risk.
  • Managing individual and team performance.
  • Committed to delivering high quality results, overcoming challenges, focusing on what matters, execution.
  • Implementing change initiatives and leading change.
  • Sustaining energy and well-being, building resilience in teams.
  • Continuously looking for opportunities to learn, build skills and share learning both internally and externally.
  • Developing people and building a talent pipeline.
  • Translating strategy into action - a compelling narrative, motivating others, setting objectives and delegation.
  • Building strong relationships and collaboration, managing trusted stakeholder relationships internally and externally.
  • Budgeting and forecasting, commercial and financial acumen.


GSK is a global biopharma company with a special purpose – to unite science, technology and talent to get ahead of disease together – so we can positively impact the health of billions of people and deliver stronger, more sustainable shareholder returns – as an organisation where people can thrive. Getting ahead means preventing disease as well as treating it, and we aim to impact the health of 2.5 billion people around the world in the next 10 years.

Our success absolutely depends on our people. While getting ahead of disease together is about our ambition for patients and shareholders, it’s also about making GSK a place where people can thrive. We want GSK to be a workplace where everyone can feel a sense of belonging and thrive as set out in our Equal and Inclusive Treatment of Employees policy. We’re committed to being more proactive at all levels so that our workforce reflects the communities we work and hire in, and our GSK leadership reflects our GSK workforce.

If you require an accommodation or other assistance to apply for a job at GSK, please contact the GSK Service Centre at 1-[Register to View] (US Toll Free) or +1 [Register to View] (outside US).

GSK is an Equal Opportunity Employer and, in the US, we adhere to Affirmative Action principles. This ensures that all qualified applicants will receive equal consideration for employment without regard to race, color, national origin, religion, sex, pregnancy, marital status, sexual orientation, gender identity/expression, age, disability, genetic information, military service, covered/protected veteran status or any other federal, state or local protected class.

At GSK, the health and safety of our employees are of paramount importance. As a science-led healthcare company on a mission to get ahead of disease together, we believe that supporting vaccination against COVID-19 is the single best thing we can do in the US to ensure the health and safety of our employees, complementary workers, workplaces, customers, consumers, communities, and the patients we serve.

GSK has made the decision to require all US employees to be fully vaccinated against COVID-19, where allowed by state or local law and where vaccine supply is readily available. The only exceptions to this requirement are employees who are approved for an accommodation for religious, medical or disability-related reasons.

Important notice to Employment businesses/ Agencies

GSK does not accept referrals from employment businesses and/or employment agencies in respect of the vacancies posted on this site. All employment businesses/agencies are required to contact GSK's commercial and general procurement/human resources department to obtain prior written authorization before referring any candidates to GSK. The obtaining of prior written authorization is a condition precedent to any agreement (verbal or written) between the employment business/ agency and GSK. In the absence of such written authorization being obtained any actions undertaken by the employment business/agency shall be deemed to have been performed without the consent or contractual agreement of GSK. GSK shall therefore not be liable for any fees arising from such actions or any fees arising from any referrals by employment businesses/agencies in respect of the vacancies posted on this site.

Please note that if you are a US Licensed Healthcare Professional or Healthcare Professional as defined by the laws of the state issuing your license, GSK may be required to capture and report expenses GSK incurs, on your behalf, in the event you are afforded an interview for employment. This capture of applicable transfers of value is necessary to ensure GSK’s compliance to all federal and state US Transparency requirements. For more information, please visit GSK’s Transparency Reporting [Register to View] site.