Senior Computational Chemist
Posted 2025-08-15
Remote, USA
Full Time
Immediate Start
About the Company
Unnatural Products (UNP) is a growing discovery-stage biotech company pioneering macrocyclic peptide drug discovery. Our goal is to unlock the full therapeutic potential of macrocycles by bringing small molecule-like behavior to molecules with high target affinity - unlocking undruggable targets and enabling oral delivery to targets traditionally only addressable with injectable modalities.
To support UNP’s growing discovery portfolio, we are seeking a talented and experienced computational chemist to join our team. This person will work closely with medicinal chemists, engineers, and biologists to accelerate our discovery efforts. This person will play an integral role, designing molecules, analyzing data, developing, and applying methods in concert with our dynamic teams to push the limits of this unique modality.
Based in Santa Cruz, CA, we are a passionate team of scientists and operators doing high-quality science in a beautiful setting—where innovation and work-life balance go hand in hand. Come shape the future of UNP with us!
The Role
Reporting to the Head of Computational Chemistry, as a Senior Computational Chemist, you’ll be integrated with our chemistry teams aiding in design of molecules and molecule libraries through integrated physics-based modeling, machine learning innovation, and informatics. This role combines method development, cross-functional collaboration, and direct impact on drug design pipelines.
What You’ll Do
• Work closely with project teams to accelerate peptide drug discovery utilizing computational methods.
• Utilize and expand physics-based methods such as in silico mutational analysis, MD, conformational sampling, and FEP to rapidly identify peptide modifications to improve affinity and properties
• Work closely with our engineering team to develop, benchmark, and adapt bleeding edge workflows to enable pipeline impact
• Work closely with our biology team to assemble and analyze data to discover hidden insights coming for our diverse data streams
Essential Knowledge, Skills and Abilities
• PhD in Chemistry, Physics, or similar field
• 5+ years of related industry experience; may include post-doctoral experience
• Excellent communication and organizational skills
• Experience navigating multiple scientific and technical projects while maintaining timelines
• Experience in in silico methods for peptide optimization and development (e.g., Bioluminate, ROSETTA, AfCycFold, RFPeptides, ..)
• Experience designing molecules with a 3D interface (e.g., Maestro, MOE, Discovery Studio)
• Experience with modeling toolkits (e.g., Schrodinger, CCG, OpenEye, OpenMM/FE/FF, AMBER, GROMACS, NAMD)
• Familiarity with queueing systems (e.g., SLURM, PBS)
• Strong scientific programming skills (Python, R, Jupyter, ..)
• Familiarity with functional chemoinformatics specifications and languages (e.g. SMILES, SMARTS, rdkit, biopython, etc.)
• Experience running and analyzing MD simulations
• Familiarity with relative binding free energy methods (e.g. FEP, TI, etc.)
• Strong publication record including multiple first-authored articles
Additional experience preferred:
• Experience in small molecule computational methods such as docking, LBDD
• Experience with biologics computational methods such as in silico affinity maturation, aggregation analysis
• Experience in modeling non-canonical amino acids
• Experience collaborating with experimentalists in pharmaceutical design
• Experience and publications in methods development
Why Join Us?
You will have to have an opportunity to help shape the future of a company on the rise. As our Senior Computational Chemist, you will have the ability to accelerate design of macrocyclic peptides while developing bleeding edge technologies. We value integrity, transparency, curiosity, and a collaborative spirit. If you are passionate about people and biotech, we’d love to talk.
The salary range for this role is $145,000 – $185,000. Title and compensation will be competitive and commensurate with the candidate's career experience, qualifications, and the responsibilities of the position.
We are proud to be an Equal Opportunity Employer. We are committed to creating an inclusive environment for all employees and applicants and welcome individuals of all backgrounds, experiences, and perspectives. All employment decisions are based on business needs, job requirements, and individual qualifications, without regard to race, color, religion, sex, sexual orientation, gender identity, national origin, veteran status, disability status, or any other status protected by law. Apply tot his job
Unnatural Products (UNP) is a growing discovery-stage biotech company pioneering macrocyclic peptide drug discovery. Our goal is to unlock the full therapeutic potential of macrocycles by bringing small molecule-like behavior to molecules with high target affinity - unlocking undruggable targets and enabling oral delivery to targets traditionally only addressable with injectable modalities.
To support UNP’s growing discovery portfolio, we are seeking a talented and experienced computational chemist to join our team. This person will work closely with medicinal chemists, engineers, and biologists to accelerate our discovery efforts. This person will play an integral role, designing molecules, analyzing data, developing, and applying methods in concert with our dynamic teams to push the limits of this unique modality.
Based in Santa Cruz, CA, we are a passionate team of scientists and operators doing high-quality science in a beautiful setting—where innovation and work-life balance go hand in hand. Come shape the future of UNP with us!
The Role
Reporting to the Head of Computational Chemistry, as a Senior Computational Chemist, you’ll be integrated with our chemistry teams aiding in design of molecules and molecule libraries through integrated physics-based modeling, machine learning innovation, and informatics. This role combines method development, cross-functional collaboration, and direct impact on drug design pipelines.
What You’ll Do
• Work closely with project teams to accelerate peptide drug discovery utilizing computational methods.
• Utilize and expand physics-based methods such as in silico mutational analysis, MD, conformational sampling, and FEP to rapidly identify peptide modifications to improve affinity and properties
• Work closely with our engineering team to develop, benchmark, and adapt bleeding edge workflows to enable pipeline impact
• Work closely with our biology team to assemble and analyze data to discover hidden insights coming for our diverse data streams
Essential Knowledge, Skills and Abilities
• PhD in Chemistry, Physics, or similar field
• 5+ years of related industry experience; may include post-doctoral experience
• Excellent communication and organizational skills
• Experience navigating multiple scientific and technical projects while maintaining timelines
• Experience in in silico methods for peptide optimization and development (e.g., Bioluminate, ROSETTA, AfCycFold, RFPeptides, ..)
• Experience designing molecules with a 3D interface (e.g., Maestro, MOE, Discovery Studio)
• Experience with modeling toolkits (e.g., Schrodinger, CCG, OpenEye, OpenMM/FE/FF, AMBER, GROMACS, NAMD)
• Familiarity with queueing systems (e.g., SLURM, PBS)
• Strong scientific programming skills (Python, R, Jupyter, ..)
• Familiarity with functional chemoinformatics specifications and languages (e.g. SMILES, SMARTS, rdkit, biopython, etc.)
• Experience running and analyzing MD simulations
• Familiarity with relative binding free energy methods (e.g. FEP, TI, etc.)
• Strong publication record including multiple first-authored articles
Additional experience preferred:
• Experience in small molecule computational methods such as docking, LBDD
• Experience with biologics computational methods such as in silico affinity maturation, aggregation analysis
• Experience in modeling non-canonical amino acids
• Experience collaborating with experimentalists in pharmaceutical design
• Experience and publications in methods development
Why Join Us?
You will have to have an opportunity to help shape the future of a company on the rise. As our Senior Computational Chemist, you will have the ability to accelerate design of macrocyclic peptides while developing bleeding edge technologies. We value integrity, transparency, curiosity, and a collaborative spirit. If you are passionate about people and biotech, we’d love to talk.
The salary range for this role is $145,000 – $185,000. Title and compensation will be competitive and commensurate with the candidate's career experience, qualifications, and the responsibilities of the position.
We are proud to be an Equal Opportunity Employer. We are committed to creating an inclusive environment for all employees and applicants and welcome individuals of all backgrounds, experiences, and perspectives. All employment decisions are based on business needs, job requirements, and individual qualifications, without regard to race, color, religion, sex, sexual orientation, gender identity, national origin, veteran status, disability status, or any other status protected by law. Apply tot his job