CCL Home Page
Up Directory CCL 21.02.27 Computational Chemist: Modeling and Drug Design, New Equilibrium Biosciences, Boston, MA, USA
From: jobs at (do not send your application there!!!)
To: jobs at
Date: Sat Feb 27 20:46:30 2021
Subject: 21.02.27 Computational Chemist: Modeling and Drug Design, New Equilibrium Biosciences, Boston, MA, USA
New Equilibrium Biosciences discovers drugs that target intrinsically 
disordered proteins through its integrated computational-experimental 
platform, with the mission of creating transformative medicines for 
patients with cancers and neurodegenerative disorders.

We are seeking a PhD-level scientist with a background in computational 
chemistry or biology to join our growing team starting in March 2021. You 
should have experience in molecular dynamics simulations of proteins and 
computer-aided drug design, and you should be passionate about using 
and building novel, interdisciplinary technologies to facilitate drug 
discovery for currently undrugged targets.

We look forward to hearing from you!

Required Qualifications:
- Ph.D. in Computational Chemistry, Computational Biology, or a related field
- Experience with:
    -- Running and analyzing enhanced sampling molecular dynamics simulations
    -- Structure-based drug design, and
    -- Intrinsically Disordered Proteins
- Positive attitude and passion for New Equilibriums goals
- Out-of-box thinker committed to rigorous scientific work

Desired Qualifications (any combination of these):
- Postdoc/Industry experience related to Computational Chemistry, Computational
  Biology, Drug Discovery, Biophysics, or a related field
- Experience with:
    -- Developing algorithms related to molecular dynamics simulations, 
       in silico screening, or structure-based drug design
    -- Fragment-based drug discovery
    -- Free Energy Perturbation
    -- Force field parameterization
    -- AI-powered drug discovery
    -- Developing machine learning algorithms
    -- Building and configuring cloud-based and/or local HPC clusters
- Strong theoretical background in statistical mechanics, thermodynamics, 
  quantum chemistry, and/or machine learning
- Interest in application-specific hardware and quantum computing
- Excellent oral and written communication skills

- Initiate, monitor, and analyze protein simulations
- Model the conformational ensemble of intrinsically disordered proteins
- Develop new methodologies for modeling intrinsically disordered proteins 
  and their interactions with ligands
- Work closely with experimentalists and medicinal chemists to design and 
  test drug molecules
- Prepare figures/slides/documents for external presentations
- Help shape the culture of New Equilibrium Biosciences
If interested, please apply via our google form by March 15, 2021:

We will be reviewing applications as they come in, so apply now and join 
us in our mission of creating new medicines for life-threatening diseases!
All @ signs were changed to |,| to fight spam. Before you send e-mail, you need to change |,| to @
For example: change joe|,| to
Please let your prospective employer know that you learned about the job from the Computational Chemistry List Job Listing at If you are not interested in this particular position yourself, pass it to someone who might be -- some day they may return the favor.
Modified: Sun Feb 28 01:46:30 2021 GMT
Page accessed 996 times since Sun Feb 28 01:53:00 2021 GMT