Principal Scientist Computational Chemistry

Perpetual Medicines is a fully integrated computational peptide therapeutics company that aims to build the next-generation peptide drug discovery engine. Perpetual Medicines’ platform will combine leading-edge methods in computational physics, including MD simulation, FEP, and quantum chemistry, with next-generation AI technologies to predict numerous peptide properties with supreme accuracy. We couple this “dry” platform with a large-scale synthetic laboratory using state-of-the-art biophysical and chemistry methods for high-throughput peptide synthesis & experimentation. Perpetual Medicines is innovating next-generation peptide drugs in oncology, autoimmune, and metabolic diseases.

Job Responsibilities

Take a leading role in cross-disciplinary mechanistic studies using physics-based modeling and simulation, biophysical characterization, and cellular validation.

Collaborate with chemists, biologists, pharmacologists and other project scientists (CRO) to progress drug discovery projects by applying computational tools to invent and advance compounds.

Guide compound design on multiple projects, interfacing with medicinal chemistry and biology group.

Work at the intersection of experimental and groundbreaking digital technologies, with a particular emphasis on expertise in machine learning and artificial intelligence (AI) as applied to small molecule drug discovery.

Skills and Abilities:

In-depth experience with computational chemistry, cheminformatics, data science, machine learning software including open-source packages such as RDKit, OpenMM, Scikit-learn and TensorFlow.

Experience with standard computational chemistry software (such as the Schrodinger suite; CCG MOE).

Experience with peptide design tools such as Rosetta.

Programming skills (e.g. Python and C/C++); experience with scientific, numeric, and chemistry libraries.

Data science and machine learning algorithms and tools (e.g. Random Forest, Deep Neural Networks, Generative Design)

Qualifications:

• PhD in computational chemistry/biology or related with 5+ years of relevant experience in the biopharmaceutical industry experience in drug discovery and development, with solid track record of publications/patents.
• A creative problem solver and a good team player.
• Clear communicator who enjoys influencing the direction of project teams.
• Effective listener with excellent written and oral communication skills.
• Ability to manage multiple priorities simultaneously.