Research Scientist - RDIT Modelling

Position Purpose

The role holder is responsible for collaboration & contribution to discovery programs at hit identification, lead design and optimization phase using AI/ML, cheminformatics and molecular modeling for an agrochemical industry. The role requires deep understanding of chemical, biological, scientific and statistical knowledge with past experience of its application. The role would also give an exposure to data analytics, digitalization, and exploration of new computational and AI/ML tools for research purpose.

General

• Actively imbibing the values and philosophy of the organization and the department.
• Efficient contribution to the overall success of RDIT by driving innovation and team performance according to objectives and set targets.
• Ensuring the security of intellectual property for PI R&D (patent applications, ensuring freedom-to-operate).
• Continuously updating scientific and domain knowledge with respect to recent literature on computational methodologies, new modelling tools, databases in drug / agrochem discovery and tools for digitalization and data analytics.
• Support the Team Leader with special focus on target setting and constantly seek functional feedback.
• Prepare and present strategic presentations in order to convey key findings, SAR, computational results and ideas to the project teams and management.

Operational

• Work closely with research project stakeholder to achieve and exceed targets within specified timeframe.
• Candidate will play an essential role in new ideas generation, design prioritization, rationalization, SAR, data analysis, focused library generation, small molecule database collection and preparation, by state-of-the-art computational tools like Schrödinger, Cresset, Optibrium, ACDLabs and various open source tools.
• Apply advanced cheminformatics tools and python packages like RDkit for similarity search, substructure search and clustering.
• Apply advance enhanced sampling (Replica exchange, Metadynamics) and molecular dynamics simulation techniques to understand protein-ligand dynamics, permeability, mechanism of binding etc.
• Use programming skills to automate the process and enhance the effectiveness and productivity Ex. KNIME, Python, R etc.
• Use data analysis and visualization tools and software like Data Warrior, Spotfire, python packages for effective decision making.
• Learn new tools and technologies constantly to be updated with industry developments. Ideate, test and validate in order to launch new programs and initiatives.
• Continuously keep oneself updated with competition, industry and domain analysis and share important developments with the key stakeholders.
• Follow all standard operating procedures as defined from time to time, share regular reports and comply to all information/data integrity and security policies.
• Continuous documentation and reporting of all research results obtained within the area of responsibility.
• Update on the functional progress/issues of the project on a regular basis and actively seek functional support from Team Leader
• Constructive and active participation in all technical and functional meetings of the team.
• Foster an environment of knowledge sharing within the team
• Maintain healthy working relationships with the related teams and departments in PI R&D

Educational Qualification

• PhD in computational chemistry or a related field with background in chemistry / biology / physics or informatics from a reputed University / Institute with excellent academic credentials.

Experience

• Post PhD. research experience of > 4 years from international companies and/or high-ranking academic institutes in handling scientific data in order to support decision making, improve and provide new design in the area of drug/agrochemical discovery
• Experience as member of project teams in the area of data management and data evaluation is a plus
• Experience in driving results through efficient drug designing
• Must be able to communicate with key stakeholders on a high level of understanding of contents
• Experience in agrochemical space would be an additional advantage.

shubhi.chandnani@piind.com