Lead - Molecular Modelling and Computational Chemistry

Position Description

Position Purpose

This position will work closely with synthetic chemists, biologists, formulation specialists and other team members with the aim to identify and optimize new lead structures. The role will be of an individual contributor reporting to GL- Research IT Scientific Computing and will involve application of wide variety of ligand-based and structure-based computational approaches

Strategic Responsibilities

• Active support of the philosophy, values and strategy of PI Industries Ltd.


• Drive Innovation by gaining advanced theoretical and practical knowledge in Scientific Computing and Modelling relative to agro industry.


• Fulfilling requirements from business (reflected in research targets) and discovery activities (chemistry, biology)


• Identifying proprietary research results and taking appropriate measures to maximize the value of CreAgro


• Support the CreAgro Team with special focus on personnel, target setting, development of strengths, building of knowhow, feedback and coaching


• Maintain close contacts with international and industry research bodies, institutes engaged in providing relevant services and academia


• Act as a committed ambassador of PI brand


• Remain at the cutting edge of knowledge required for data management and assessment through constant updating of personal knowledge and skill-sets using the online and print literature, attending national and international conferences on scientific computation and modelling

Operational Responsibilities

• Work closely with chemists, biologists, KM, formulation team with an aim to identify and optimize new lead structures and provide more insights to existing projects.


• Play essential role in data analysis, design focused compound collection and suggested synthesis prioritization by applying wide variety of ligand based and structure based computational approaches.


• Contribute to the design process for discovery, lead exploration and optimization by state-of-the-art methods and technologies, e.g. by modelling and designing of molecules with potential biological activity.


• Take responsibility for compilation, correlation, aggregation, annotation, extraction, transformation and interpretation of relevant data, coming from biology, chemistry, analytics or predevelopment and development.


• Act as key interface of CreAgro with respect to other PI departments and to external service providers and suppliers concerning scientific software and hardware related to MSC.


• Contribute to budget planning and controlling of MSC related cost, e.g. with focus on software and hardware, licenses, and investments.


• Contribute to personnel and budget planning within the frame given by the CreAgro management


• Comply with all the safety requirements of the role.


• Present the work effectively to project team and higher management.


• Should have a good understanding of biochemical assays, invivo biology and toxicology

Financial Responsibilities

• Contribute to budget proposals


• Contributes to budgetary controls within the area of responsibility

People Responsibilities

• Business relationship to HOFs and GLs of Chemistry, Biology, PMS as well as with the KM employees


• Ensure smooth working of the department to maintain high morale of the workforce


• Continuously improve processes to ensure quality and efficiency


• Implement initiatives to build desired culture in the MSC team and along interfaces


• Ensure that the MSC team acquires and maintains a high level of knowledge and skills in relevant areas of data management, modelling, QSAR and respective IT tools in particular through continuous development, education and training

Education Qualification

• PhD in biology / chemistry / physics from a reputed University / Institute with excellent academic credentials


• Post-doctoral research experience in a reputed University is preferred

Work Experience

• Research experience of > 10 years from international companies and/or high ranking academic institutes in handling scientific data in order to support, improve and direct design in the area of discovery, exploration and optimization in life sciences


• High quality research publications and/or patents appreciated


• Experience as member of project teams in the area of data management and data evaluation


• Experience in monitoring and controlling budgets for R&D activities

Industry to be Hired from

Agro/Pharma /Chemical Industries

Functional Competencies

Interaction Complexity and Team Work