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Date: Wed Apr 26 13:45:21 2017
Subject: 17.04.26 Free Energy Calculation Scientist, Schrödinger, NYC

Schrödinger, a technology leader specializing in software solutions for life science research and development, is seeking a computational scientist with outstanding skills in developing molecular dynamics and free energy calculation related methods for biomolecular simulations. The ideal candidate is a scientist experienced in the application, development, and refinement of a broad range of free energy calculation techniques, especially those geared toward understanding protein-ligand binding, protein conformational reorganization and the electrostatic interactions in biomolecular simulations. The candidate should also have a demonstrated ability to design, implement, and validate novel free energy calculation protocols.

Required qualifications include:

  • Ph.D. in computational chemistry, chemical physics, or related fields
  • Unix/Linux, C/C++, and Python experience
  • Extensive training in statistical mechanics and thermodynamics
  • Peer-reviewed publications in statistical mechanics, computational chemistry, and/or chemical physics
  • Excellent communication skills, both written and verbal

Desirable qualifications include:

  • Expertise in the treatment of protein flexibility
  • Expertise in constant pH molecular dynamics simulations
  • Expertise in electrostatic interactions in MD simulations
  • Experience in the design, development, and implementation of novel free energy calculation protocols
  • Experience with protein-ligand docking
  • Experience with force field development
  • Experience with partial charge assignment methods
  • Specific knowledge of any of these areas is less critical than outstanding research and development skills, and a track record of innovative accomplishment.

Please apply directly via our website at:

Schrödinger is an equal opportunity employer

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