Back to Jobs

Lead Computational Chemist, Remote

Remote, USA Full-time Posted 2026-06-13

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

Similar Jobs

Chemistry Expert

Remote, USA Full-time

Molecular Biology Researcher | Remote

Remote, USA Full-time

Biology (Online) Adjunct Instructor (Pool)

Remote, USA Full-time

Virtual Students with Disabilities and Biology Educator (NYS Certified)

Remote, USA Full-time

Molecular Biologist | Upto $75/hr Remote

Remote, USA Full-time

Maths Teacher - Remote Job

Remote, USA Full-time

Mathematics Expert - Fully Remote | Upto $60/hr Hourly - AI Trainer

Remote, USA Full-time

Validation Analyst/Lab Benchtop Systems

Remote, USA Full-time

Product Development Lab Technician II

Remote, USA Full-time

Scientific Technician-Customer Service-Public Health Laboratory

Remote, USA Full-time

Conversational Designer

Remote, USA Full-time

Quality Inspector (2nd shift)

Remote, USA Full-time

Entry-Level Remote Data Entry Specialist – Work From Home Data Management Position With Training Provided | Join arenaflex's Dynamic Team

Remote, USA Full-time

YouTube content Moderator Job (Remote)

Remote, USA Full-time

Experienced Remote Data Entry Specialist – Database Management and Operations

Remote, USA Full-time

Experienced Customer Service Representative – Delivering Exceptional Experiences for arenaflex Customers

Remote, USA Full-time

Staff Software Engineer - Traffic Engineering

Remote, USA Full-time

Remote Customer Service Representative – Pet‑Loving Support Specialist for arenaflex (Work‑From‑Home)

Remote, USA Full-time

Account Executive - Eastern Canada

Remote, USA Full-time

Senior Platform Engineer

Remote, USA Full-time