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 To this Job