- the design and execution of hit-finding strategies using both ligand- and structure-based methods for exploring chemical space. This includes virtual screening techniques, similarity/diversity selections, machine learning modeling, chemical spaces and biological databases mining.
- leveraging X-ray and cryoEM 3D structures to identify and functionally characterize the mode of action of small molecules through druggability analysis, comparative docking, molecular dynamics simulations and binding affinity calculation with the therapeutic target.
- the development of core-expertise and assimilation of new innovative technologies with a focus on AI/ML techniques.
- the design of data workflow protocols and machine learning prediction models and further integration within Servier’s collaborative and IT platforms.
- Develop and execute computational strategies to design biologically-active molecules using state of the art molecular modeling and chemoinformatics techniques.
- Establish a strong partnership with the chemistry team leader in order to provide structural context, share rationale, and prioritize mutual designs/ideas prior to chemical synthesis.
- Work in close collaboration with our AI/ML expert group to implement novel approaches for compound generation and property prediction. Act as an AI ambassador towards Servier’s scientific community.
- Develop custom Pipeline Pilot protocols to address data manipulation needs. Leverage GitHub resources and write Python scripts to internalize and implement public machine learning algorithms.
- Ensure optimal interaction/communication with project teams and wider Structural Sciences pole of activity and In Vitro Pharmacology unit (biophysical, screening and data science - data management teams), provide impact from computational results and update discovery leadership on project status.
- Analyze, interpret and communicate the results of computational chemistry studies, educate team members and scientific internal community, contribute to the writing of scientific papers, ensure scientific and technological survey.
- Ph.D. in computational chemistry, cheminformatics, or a related field.
- Experience in a professional drug design environment (e.g., Pharma, CRO, Biotech, Drug Discovery Unit).
- Demonstrated skills in the application of computer-assisted drug design using modeling and computational software.
- Experience with machine learning (supervised and unsupervised), active learning, statistical, multi-objective modelling.
- Good knowledge of UNIX/Linux, and/or cloud computing solutions.
- Sound knowledge of pipelining tools (e.g., Pipeline Pilot) used in an industry-standard drug discovery setting.
- Knowledge of at least one programming or scripting language (Python preferred).
- Familiarity with pharmacological and medicinal chemistry concepts.
- Ability to work independently and collaboratively in a multidisciplinary, team-oriented environment.
- Ability to communicate and collaborate effectively in a team environment (e.g. medicinal chemists, structural biologists, and other members of cross-functional project teams)
- Good level of spoken and written English.
- Strong oral and written communication skills.
- Track record of scientific contributions including peer reviewed first-author publications.
- A passion for tackling challenging questions and developing creative solutions in drug discovery.
- Ph.D. in computational chemistry, cheminformatics, or a related field.
- Experience in a professional drug design environment (e.g., Pharma, CRO, Biotech, Drug Discovery Unit).
- Demonstrated skills in the application of computer-assisted drug design using modeling and computational software.
- Experience with machine learning (supervised and unsupervised), active learning, statistical, multi-objective modelling.
- Good knowledge of UNIX/Linux, and/or cloud computing solutions.
- Sound knowledge of pipelining tools (e.g., Pipeline Pilot) used in an industry-standard drug discovery setting.
- Knowledge of at least one programming or scripting language (Python preferred).
- Familiarity with pharmacological and medicinal chemistry concepts.
- Ability to work independently and collaboratively in a multidisciplinary, team-oriented environment.
- Ability to communicate and collaborate effectively in a team environment (e.g. medicinal chemists, structural biologists, and other members of cross-functional project teams)
- Good level of spoken and written English.
- Strong oral and written communication skills.
- Track record of scientific contributions including peer reviewed first-author publications.
- A passion for tackling challenging questions and developing creative solutions in drug discovery.
Company
Location
Croissy-sur-Seine - France
Job type
Full-Time
Python Job Details
SERVIER France
We are looking to hire a Computational Chemistry Scientist in a permanent, full-time position for our location on site currently at Croissy-sur-Seine, then at Saclay from February 2023.
Mission and scope of the role
Design and implement computational chemistry studies in drug discovery projects, in close partnership with chemistry and project core teams. Use ad-hoc software and strategies to provide new insight, rationale and design ideas to project teams. Contribute to delivering high therapeutic value medicines for patients through:
We are looking to hire a Computational Chemistry Scientist in a permanent, full-time position for our location on site currently at Croissy-sur-Seine, then at Saclay from February 2023.
Mission and scope of the role
Design and implement computational chemistry studies in drug discovery projects, in close partnership with chemistry and project core teams. Use ad-hoc software and strategies to provide new insight, rationale and design ideas to project teams. Contribute to delivering high therapeutic value medicines for patients through:
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