Principal Scientist, Computational Chemistry
165-175k
New York, NY, USA

SciPro is partnered with an innovative Biotech drug discovery organization in the Greater NYC metropolitan area. The person selected with join a rapidly growing and well-funded organization changing the scientific landscape across a variety of different modalities and indications.

 

Responsibilities:

  • Help progress drug discovery projects by applying computational tools to invent and advance compounds that have a higher probability of becoming successful drugs.
  • Support small molecule and biologics lead identification and optimization programs using various methods encompassing all computational aspects of drug discovery.
  • design of high throughput screening libraries to support hit finding
  • development of innovative computational methods
  • data analysis and visualization to support multiparameter compound optimization
  • application of machine learning
  • Drive a “predict-first” culture in molecule design that impacts decision making on programs.
  • Create and lead computational methods to study conformationally flexible proteins, identify novel binding sites, and ligand selectivity.

 

Qualifications:

  • PhD in computational chemistry or related with 4+ years relevant experience
  • Deep understanding of computational biophysical approaches, e.g. molecular dynamics, enhanced sampling methods, free energy calculation and quantum mechanics.
  • Experience with commercial and open-source molecular modeling tools, i.e. Schrodinger, MOE, OpenEye, Amber, NAMD, etc.
  • Experience with computational approaches to compound screening library design including fragment-based ligand design (screening and expansion) and/or DNA encoded libraries (library design, hit-to-lead advancement)
  • Experience with QSAR, machine learning, and/or deep learning

 

All interested applicants are encouraged to apply below.

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