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Up Directory CCL 22.03.23 Scientist - Computational Chemistry in Drug Discovery, Selvita, Poland (EU)
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Date: Wed Mar 23 03:34:36 2022
Subject: 22.03.23 Scientist - Computational Chemistry in Drug Discovery, Selvita, Poland (EU)
Selvita is a global integrated drug discovery partner for the pharmaceutical and biotechnology industries with offices in Cambridge, UK, Greater Boston Area, San Francisco Bay Area, as well as, Krakow and Poznan, Poland. The company offers drug discovery support at every stage of the early discovery phase up to the preclinical research phase.

Due to constant development, currently, we are seeking candidates for the position in the Computational Chemistry Team. This is a unique opportunity to develop and work with transformative technology in a dynamic, interdisciplinary environment.

Relevant areas of experience might include direct application of various computational methods to drug discovery, investigation of conformational changes relevant to the function of protein kinases, ion channels, or other biomolecules, structural modeling of protein-protein complexes involved in signal transduction, or other cellular processes. In your new role, you enhance our method portfolio with newly emerging CompChem methods e.g. from areas such as artificial intelligence, cheminformatics, or structure-based design.

Key responsibilities:
- As a member of interdisciplinary project teams, you take over responsibility for the early project phases including hit finding and hit follow-up.
- You support research projects with state-of-the-art computational chemistry methods and contribute to the design and optimization of lead compounds.
- Building queries and obtaining data from available chemical databases.
- Cleaning and standardizing chemical data.
- Performing statistical analysis on the data.
- Calculating physicochemical and other derived properties from chemical structures.
- Building custom, high-quality datasets, according to given specifications.
- Cooperating with data scientists to devise the best data structure for their requirements.
- Collecting chemical reaction data from electronic laboratory notebooks and reaction databases like Reaxys.
- Clearly document and present your work to computational colleagues, as well as to interdisciplinary teams of biologists and chemists at company meetings. This requires continuous teaching, learning, and engagement with the bigger picture for cohesive impact.

Your background:
- Master's / Ph.D. degree, preferably in chemistry, computational chemistry, cheminformatics, or a related discipline.
- Good understanding of chemical structures of organic compounds, and the relationship between chemical structure and physicochemical properties.
- Experience of working within a drug discovery environment would be an advantage.
- Familiarity with chemical databases (including reaction databases) and ways to efficiently procure necessary data from them.
- At least 1 year of practical experience with gathering, processing, manipulating and analyzing chemical data in bulk quantities (thousands to millions of items).
- Good knowledge of statistics: descriptive statistics, regression analysis, clustering and model building.
- Proficiency in programs, tools, and libraries for data analysis and cheminformatics, e.g. Pipeline Pilot, KNIME, RDKit, JChem.
- Work in the Unix environment.
- Ability to work independently and collaboratively in a multidisciplinary, team-oriented environment.

Your benefit package:
- Extensive research facilities and modern laboratories.
- Daily cooperation and know-how exchange with an experienced research team.
- Long-term cooperation based on stable employment conditions and a clear career path.
- Complex training programs & language courses (English & Polish).
- Support & incentive bonus for completing Ph.D.
- Support in legalization and relocation from abroad.
- Benefits: private medical care, on-site fitness zone & subsidized sport card, lunch benefits & fruits in the office, on-site, subsidized kindergarten.
- Various sport initiatives.
- Referral program.

Apply here:,ja,158

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