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Postdoctoral position on Chemical Space Network ... (No replies)

Sukumar
5 years ago
Sukumar 5 years ago

Applications are invited for a post-doctoral position in a research project entitled “Exploring the Applications of Chemical Space Networks in Molecular Library Design and Drug Design” under the supervision of Profs. N. Sukumar (Dept of Chemistry & Center for Informatics ), and Sudeepto Bhattacharya (Dept of Maths & Center for Informatics), School of Natural Sciences, Shiv Nadar University, Gautam Buddha Nagar, U.P., India

Apply online at https://snu.edu.in/job-opportunity/post-doctoral-research-associate-ra-dst-funded-project-department-chemistry-center

Project Synopsis:

This project aims at the exploration of chemical space from a network-centric perspective. We propose to investigate molecular similarity networks using different families of molecular descriptors and similarity measures. The application of various network measures to the design of diversity oriented molecular libraries is a major goal of this project.

Objectives:

  • Comparison of molecular networks constructed from whole molecule and fragment-based, 2-D and 3-D similarity measures;
  • Exploration of protein binding site similarity networks for predicting cross reactivity of drugs;
  • Comparison of network measures for molecular interaction, transformation and similarity networks.

Nature of work: 

ab initio electronic structure computations; cheminformatics / statistical analysis; coding / scripting in Python, Java, R, C/C++ ; graphical  / network analysis. The candidates will work in an inter-disciplinary project, and will be required to interact with faculty, students and researchers across the Departments of Chemistry, Mathematics, Physics and the Center for Informatics.

Essential and Desirable Qualifications:

The candidate should have a Ph.D. in Mathematics, Chemistry or Physics from a UGC recognized University with strong computational and programming skills and competence in Python, Java, R or C/C++ (essential), Network theory (essential) and Game theory (desirable) OR a proven record of publications in cheminformatics or bioinformatics (desirable). Candidates should be NET JRF qualified. Candidate without such qualifications may be hired at a salary based on experience.

Scrutiny of applications will begin on 15 February, 2019, and continue until the position is filled.

 




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Ab initio (from electronic structure) calculation of complex processes in materials