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Cheminformatics & Drug Design Scientist | Computational Lab Manager
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IDIBELL is looking for a Cheminformatics & Drug Design Scientist | Computational Lab Manager
About the research group
Under the direction of Dr. Albert A. Antolin, a new junior principal investigator affiliated to Oncobell, a new multidisciplinary line of research has been created that aims to develop public chemical biology resources, uncover how drugs work at a systems level and develop computational methods to design more effective anti-cancer therapeutics (e.g. Antolin AA, et al. Cell Chemical Biology, 2021). The research line will have a strong focus on small-molecule multi-target drug design with close collaborations with experimental synthetic chemists, cancer biologists and oncologists to perform innovative early drug discovery. Being located at the proCURE Department, the initial focus will be to develop small molecules that tackle cancer drug resistance mechanisms including resistance to immunotherapy.
About the role
The postholder will focus on the provision and maintenance of pipelines for chemical, biological and pharmacological data analysis to identify and prioritise multi-target drug design opportunities using cheminformatics and network biology approaches. The postholder will also perform virtual screening and in silico drug design to optimise initial multi-target hits for potency and also solubility and permeability into early leads. Finally, the postholder will develop ML approaches to predict polypharmacology using chemical similarity. Curation of current and new data sources and analysis using open access cheminformatics methods may also be necessary.
The postholder will also contribute to the day to day management of the lab, including coordinating HPC job submission, shared storage, joint management of collaborative projects including in collaboration with industry, joint supervision and training of students, joint grant and paper writing and presentation at national and international conferences.
Proven experience analysing large-scale chemical data using open access cheminformatics software like RDKit or KNIME (e.g. scaffold analysis, matched molecular pairs, etc).
Using ligand- and structure-based virtual screening (e.g. docking, similarity-based approaches using fingerprints, etc.) and in silico drug design software (e.g. MOE, Schrodinger, etc.)
Education and training
Degree in Chemistry, computational chemistry or related topics
PhD in Chemoinformatics or related subject
Proven scripting skills (e.g. python)
Good working knowledge of Unix and shell/bash
Ability to present analysis results clearly orally and written reports
Good command of the English language
We will value, but not required
Experience managing people or supervising/training students
Experience managing projects or a computational laboratory
Knowledge / Experience in drug discovery
Knowledge / Experience in cancer biology
Experience developing chemical databases and compound registration
Experience working with bioactivity / pharmacology data (e.g. IC50, Ki, Kd, EC50, etc).
Experience developing machine learning models (e.g. random forest, XG-boost) using public libraries (e.g. Scikit-learn).
Development of ADME prediction models (e.g. solubility, permeability, metabolism, etc.)
Basic network biology skills (e.g. use of cytoscape, etc.)
Basic bioinformatic skills (e.g. analysing resources like cancer cell line profiling, CRISPR screens, etc.)
Experience with version control environments (e.g. github, SVN)
Experience establishing and executing cheminformatics or machine learning pipelines in High-Performance Computing infrastructure
Experience using statistical analysis packages such as R or Matlab.
What do we offer
Nº of positions: 1
Start date: 03 October 2022
Contract duration: permanent contract associated to a project
Estimated annual gross salary: it is commensurate with qualifications and consistent with our pay ranges.
You will be part of a multicultural team. We have a fun loving and friendly international work environment.
Flexible working schedule - We know you have a life outside of work and we will work with you to make sure it's kept that way.
Benefits of constant training are offered.
We offer and promote diverse and inclusive conditions. Applicants are made free from any discrimination.
All applications must include the following:
A CV including contact information
Pre-selection: The pre-selection process will consist on an eligibility check based on qualifications and expertise reflected on the candidate's CV.
Interview: Best positioned, pre-selected candidates may be called to arrange an interview. Candidates will be interviewed by the hiring manager and an ad hoc selection panel.
Formal offer letter: Once identified, the Talent Unit will send a job offer to the successful candidate indicating start date, salary, working conditions, and any additional relevant details.
Deadline: Please submit your application by 14 July 2022
Data protection notice
IDIBELL ensures that applicants’ personal data are processed as required by the EU General Data Protection Regulation (GDPR) and Spanish Law 3/2018 on Data Protection. Personal data is processed solely for the purpose of the selection procedure.
IDIBELL is a research center that integrates the biomedical research of the Bellvitge University Hospital (HUB), the Catalan Institute of Oncology (ICO), and the University of Barcelona in the Bellvitge Campus (UB), and the Viladecans Hospital (HV). The research focuses of IDIBELL are cancer, neuroscience, translational medicine and regenerative medicine. Research, innovation and society are the pivots on which researchers work every day in order to improve the quality of life of citizens.
IDIBELL is committed to the principles of the Code of Conduct for the Recruitment of Researchers of the European Commission and the implementation of open, transparent and merit-based recruitment (OTMR).
Bellvitge Biomedical Research Institute is focused in cancer, neuroscience, translational medicine and regenerative medicine. Research, innovation and society are the axes on which researchers work every day with the goal of improving the quality of life of citizens.
Our mission is to carry out research of excellence that integrates knowledge and innovation in health, contributing to the improvement of people's quality of life.
Our vision of future is to become a European reference in health sciences, rooted in our local environment and contributing to its growth by attracting and retaining research talent in health sciences.
In order to fullfil both, our values are: integrity, confidence, transparency, aspiration, passion and commitment.
Cheminformatics & Drug Design Scientist | Computational Lab Manager
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