Back to Jobs

Lead Computational Chemist, Remote

Remote, USA Full-time Posted 2026-06-16

Our client, a rapidly expanding biopharmaceutical company at the forefront of drug discovery, is seeking an experienced and visionary Lead Computational Chemist to join their globally distributed, remote-first research team. This pivotal role offers the chance to leverage advanced computational techniques to drive novel therapeutic development. You will be instrumental in designing and executing cutting-edge computational chemistry strategies to accelerate our client's drug discovery pipeline. The position is based in Boston, Massachusetts, US , but operates as a fully remote role, allowing you to contribute from anywhere within the United States.

Key Responsibilities

Lead and mentor a team of computational chemists and related scientists in the design and execution of computational chemistry projects. Develop and implement novel computational methodologies and algorithms for drug discovery, including virtual screening, molecular dynamics, free energy calculations, and QSAR modeling. Collaborate closely with medicinal chemists, biologists, and pharmacologists to design candidate molecules with desired therapeutic properties and pharmacokinetic profiles. Interpret complex computational results and translate them into actionable strategies for experimental validation. Manage project timelines, resources, and budgets for computational chemistry initiatives. Contribute to the strategic direction of the computational chemistry and drug discovery functions. Stay at the forefront of scientific literature and technological advancements in computational chemistry, cheminformatics, and drug discovery. Oversee the maintenance and enhancement of computational infrastructure and software. Present research findings at internal meetings and external scientific conferences. Foster a collaborative and innovative research environment.

Required Qualifications

Ph.D. in Computational Chemistry, Cheminformatics, Theoretical Chemistry, or a closely related field. Minimum of 7-10 years of post-doctoral research experience in computational chemistry/cheminformatics within the pharmaceutical or biotechnology industry. Proven track record of successfully leading research projects and teams. Expertise in a broad range of computational chemistry techniques (e.g., DFT, molecular dynamics, docking, virtual screening, solvation models, QM/MM). Proficiency with major computational chemistry software packages (e.g., Schrodinger, MOE, Amber, GROMACS, Desmond) and scripting languages (e.g., Python). Strong understanding of medicinal chemistry principles, structure-activity relationships (SAR), and drug discovery processes. Experience with machine learning applications in drug discovery is a significant plus. Excellent analytical, problem-solving, and data visualization skills. Exceptional communication, presentation, and interpersonal skills, with the ability to effectively collaborate with multidisciplinary teams. Demonstrated ability to manage multiple complex projects in a remote setting and drive results. This is a unique opportunity to shape the future of drug discovery through advanced computational approaches in a fully remote, high-impact environment. Apply tot his job Apply To this Job Apply To This Job Apply To This Job

Similar Jobs

Online Honors/AP Chemistry & Biology Instructor (Remote)

Remote, USA Full-time

Molecular Biologist | $70/hr Remote

Remote, USA Full-time

Remote | Biological Research & Pathogen Science Expert — $115–$135/hour

Remote, USA Full-time

Remote | Biological Research & Pathogen Science Expert — $115–$135/hour

Remote, USA Full-time

Remote Slot Mathematician

Remote, USA Full-time

Virtual Math Tutor - Remote Teaching Opportunity

Remote, USA Full-time

AI Tutor – Applied Math Specialist

Remote, USA Full-time

Math Writer

Remote, USA Full-time

Clinical/Medical Laboratory Scientist - Stem Cell Laboratory/Cellular Therapy Processing (Hiring Immediately)

Remote, USA Full-time

Administrative Assistant - Laboratory Investigations Department

Remote, USA Full-time

Data Architect - AI Trainer - Freelance - 8-20hrs/week - Remote

Remote, USA Full-time

Payroll Support Specialist (fixed-term)

Remote, USA Full-time

Principal Learning Program Manager- GTM Enablement

Remote, USA Full-time

Part-Time Remote Data Entry Specialist – Flexible Home‑Based Role with arenaflex

Remote, USA Full-time

Experienced Data Entry Associate – Work From Home Opportunity at arenaflex

Remote, USA Full-time

Experienced Full Stack Data Entry Clerk – Remote Data Management and Social Media Administration

Remote, USA Full-time

California Workers' Claims Specialist | Fully Remote

Remote, USA Full-time

Experienced Remote Data Entry Specialist – arenaflex Work from Home Opportunity

Remote, USA Full-time

Administrative Coordinator II

Remote, USA Full-time

[Work From Home] (UPS Remote) – Data Entry Ope...

Remote, USA Full-time