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Open Position

Scientist/Sr. Scientist, Computational Chemistry

Full-time role based in Boston, MA or Berlin, Germany

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.

HotSpot is seeking a scientist to be the computational design expert for at least one allosteric drug design project. This person’s key responsibility will be to drive innovation for these projects through creative application of computational methods to understand data and motivate subsequent experimentation.

Major Responsibilities:

  • Working under a computational chemistry head to implement cutting edge computational solutions for drug discovery projects
  • Working collaboratively with a multidisciplinary team including medicinal chemist and biologist
  • Interacting with experienced drug design teams to understand SAR and develop structural hypotheses to develop novel compounds to enhance potency, selectivity, and PK properties
  • Executing structure-based drug design for lead optimization projects
  • Generate knowledge and insights at the molecular level
  • Implementing creative virtual screening strategies for lead generation

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.
  • Experience working with medicinal chemists in understanding SAR and building testable hypotheses is essential.
  • Creative molecular designer with a good understanding of 3D modeling concepts to design ligands & libraries and to use a broad set of tools to evaluate and prioritize ideas.
  • Excellent oral and written communication skills and organizational skills are essential.
  • 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 including the ability to discern patterns across a variety of types of data ranging from SAR, ADME, sequences, mutations, and macromolecular structures.
  • Familiarity with common molecular modeling techniques within one or many computational chemistry software suites from vendors such as Schrodinger, OpenEye, CCG, Biovia and Molecular Discovery.Experience using MD packages in GROMACS, AMBER, OpenMM or CHARMM is a plus.
  • Experience with free energy methodologies is a plus.
  • Experience with a scientific programming/scripting languages such as C/C++/C#, Java, Python is a plus.

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: