Investigator/Principal Scientist, Molecular Design US

Key Skills

Unix Operating system, Java Programming, Design, Python Programming, SQL, Data Modeling, Linux Operating system, Sampling methods, Data Analysis

Job Description

At GSK, we are poised to transform drug discovery for our patients by unlocking the genetic causes behind disease, allowing people to do more, feel better, and live longer. Our new approach to R&D is focused on science related to manipulating the immune system, guided by data from unique human genetics and functional genomics platforms, to discover novel target-disease links with high confidence. As the output of these genetically inspired, large-scale experiments identify disease targets with higher confidence of translating in the clinic, predictive computational methods are essential to help improve the probability of success of developing new medicines and to accelerate the time needed to design them. To enable that, we have created a world-leading data and computational environment to develop and apply advanced modelling and analytics that exploit GSK’s unique access to organized, impactful data.

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, QSAR modeling, QM methods, and methods of computationally modelling macromolecular systems.
• Work with biology team members to assimilate data from experiments, optimize those experiments and integrate that data into compound design.
• Predict and evaluate targets for their probability of success to be drugged across various modalities
• 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 Masters 3 with years experience in Computational Chemistry, Cheminformatics, Physics, Biophysics or Chemistry
• 0-5 years industry experince
• Demonstrated scientific contributions documented with publications and/or presentations
• Experience in molecular modeling, protein structure analysis and/or small molecule optimization
• Experience using bioinformatics methods for protein structure prediction and design
• Skilled working in a Linux/Unix environment
• Proficiency 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 complex 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
• Strong knowledge of chemical and protein structure
• Knowledge of cheminformatics and QSAR methods
• 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?

At GSK, we have already delivered unprecedented change over the past four years, improving R&D, becoming a leader in Consumer Health, strengthening our leadership, and transforming our commercial execution. Now, we’re making the biggest changes we’ve made to our business in over 20 years. We’re on track to separate and create two new companies in 2022: New GSK with a leading portfolio of vaccines and specialty medicines as well as R&D based on immune system and genetics science; and a new world-leading consumer healthcare company of loved and trusted brands.?