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Computational Chemistry Jobs | Research Scientist @ inStem: PhD in Medicinal Chemistry or Computational Chemistry. 2-4 yrs of postdoctoral/industry exp.....

Computational Chemistry Jobs | Research Scientist @ inStem

Computational Chemistry Jobs | Research Scientist @ inStem: The Institute for Stem Cell Biology and Regenerative Medicine (inStem), is a state-of-the-art research institute in Bangalore, India, dedicated to the study of stem cell and regenerative biology. An autonomous institute funded by the Dept of Biotechnology, Govt. of India, inStem emphasizes collaborative research in stem cell biology. inStem’s mandate to allow this cross-disciplinary, multi-pronged approach to research, straddles the divide between clinical and laboratory research in stem cell biology. In trying to answer intractable and challenging questions that face the field, inStem seeks to rewrite the paradigm of the research institute: without barriers and across disciplines.

Job Title: Research Scientist – Computational chemistry

KNOWLEDGE, EXPERIENCE AND SKILLS:

  • PhD in Medicinal Chemistry or Computational Chemistry or other relevant fields.
  • 2-4 yrs of postdoctoral/industry experience in the application of computational tools to facilitate the design and optimization of potent and selective small molecules against various targets.
  •  Background in organic/medicinal chemistry with understanding of chemical building blocks and common linkers used in medicinal chemistry is essential
  •  Competence with structure-based and ligand-based design techniques like protein modelling, virtual screening, QSAR, molecular dynamics simulations with strong programming/scripting in Perl, python and R is required.
  •  Experience in applying modelling packages such as CCG, Schrödinger,
  • OpenEye or AutoDock or other similar tools is required
  •  Knowledge in data analysis and data pipelining tools like Knime is desirable.
  •  Must be detail oriented, well organized with ability to analyze and communicate data effectively
  •  Excellent teamwork is required to work in a fast-paced, multi-disciplinary environment

Computational Chemistry Jobs | Research Scientist @ inStem

JOB DESCRIPTION

  • In this position you will drive lead discovery projects by proposing testable hypothesis using computational chemistry tools.
  •  Tailor small molecule modelling strategies based on the available experimental data and direct assays to test predictions
  •  Perform cheminformatics analysis, calculate molecular properties, cluster and perform varied similarity searches
  •  Understand the effect of mutations in the pocket, determine selectivity determinants among closely related protein family members
  •  Employ ligand-based and structure-based approaches for iterative improvement of compound potency and selectivity
  •  Play a major role in lead identification, optimization, scaffold hopping and fragment linking

DUTIES AND JOB FUNCTIONS

  •  Perform statistical analysis of screening results and build QSAR models.
  •  Determine the binding mode of hits by generating interaction fingerprints, performing pharmacophore guided molecular docking and MD simulations.
  •  Propose modifications that can exploit the unexplored interactions in pocket to improve potency and selectivity.
  •  Propose new leads by virtual screening, scaffold hopping, fragment linking, ligand/pocket similarity searches, etc.
  •  Present a rational and testable hypothesis

HOW TO APPLY: Interested candidates may send in the following information by email to jobs-ccbt@instem.res.in

  • Curriculum Vitae (CV)
  • Publication list
  • Contact details of three professional referees

Computational Chemistry Jobs | Research Scientist @ inStem

Date of Posting: 22-06-2016

View Original Notification

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