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Open Position

Sr. Scientist/Scientist, Computational Chemistry

Full-time role based in Boston, MA

Within every human cell, nature has engineered finely-tuned control mechanisms to correct imbalances caused by stress and disease and promote healing.At HotSpot Therapeutics, nature is inspiring us to create a wave of new medicines.

Through a proprietary technology platform, we are uncovering privileged allosteric sites used by nature to control proteins – called regulatory hotspots– that can be exploited through small molecule drug discovery. Regulatory hotspots are allowing sought-after targets to be drugged for the first time while delivering molecules with exquisite selectivity and attractive drug-like properties.

HotSpot is supported by a syndicate of leading healthcare investors based in the US and Europe.

You will be joining a seasoned team of drug hunters with an excellent track record in drug discovery. As a HotSpotter, you are comfortable thinking outside the box and breaking convention. You are curious about the world and contribute beyond your precise role description. You are action orientated and extraordinary at getting things done. You communicate openly with your colleagues and you hate office politics.

Major Responsibilities:

  • Working under a computational chemistry head to implement docking and molecular dynamics solutions for drug discovery projects
  • Working with medicinal chemistry to understand SAR and develop structural hypotheses
  • Interacting with experienced drug design team to develop novel compounds to enhance potency, selectivity and PK properties
  • Executing structure-based drug design for lead generation and lead optimization
  • Creating pharmacophore, homology, QSAR and other empirical models
  • Accessing and manipulating sequence, crystallographic data, and homology modeling

Requirements and Qualifications:

  • Ph.D. degree in computational chemistry, computational biology or a related field, with 2+ years of related work experience within a pharmaceutical or biotech environment
  • Familiarity with one or many computational chemistry software suites from vendors like Schrodinger, OpenEye, CCG, Biovia and Molecular Discovery
  • Experience working with medicinal chemists in understanding SAR and building hypotheses is essential
  • Expert molecular designer with creativity and the ability to design ligands & libraries; utilizes broad set of tools to evaluate/prioritize ideas.
  • Excellent oral and written communication skills and organizational skills are essential
  • Good understanding of medicinal chemistry and ability to put together a library from monomer collection.
  • The ability to work independently as effectively as being able to collaborate in multidisciplinary teams.
  • Strong analytical and problem-solving skills and scientific creativity are essential.
  • Good working experience using MD packages in GROMACS, AMBER or CHARMM.
  • Good experience in 1 or more programming/scripting languages like C/C++/C#, Java, Perl, Python.

At HotSpot, we have a bold mission to establish new drug discovery paradigm.  If this appeals to you, please let us know at

HotSpot is an equal opportunity employer. We celebrate diversity and are committed to creating an inclusive environment for all employees.

To apply for this role, please email: