Principal Scientist - Computational Chemistry
Our client, a pioneering pharmaceutical research organization, is seeking a highly accomplished Principal Scientist in Computational Chemistry to join their innovative drug discovery team in
Virginia Beach, Virginia, US
. This senior role is instrumental in applying cutting-edge computational techniques to accelerate the identification and optimization of novel drug candidates. The ideal candidate will possess a deep theoretical understanding and practical experience in molecular modeling, cheminformatics, and structure-based drug design. Key Responsibilities: Lead and execute computational chemistry projects to support drug discovery programs, including target analysis, hit identification, lead optimization, and ADMET prediction. Develop and apply state-of-the-art computational methods, including molecular docking, virtual screening, molecular dynamics simulations, quantum mechanics calculations, and QSAR modeling. Design and analyze pharmacophore models and explore structure-activity relationships (SAR). Collaborate closely with medicinal chemists, biologists, and pharmacologists to integrate computational insights into experimental design and interpretation. Build and maintain large chemical databases and develop cheminformatics tools for data analysis and visualization. Evaluate and implement new computational chemistry software and hardware resources. Stay abreast of the latest advancements in computational chemistry, cheminformatics, and drug discovery technologies. Present research findings and strategic recommendations to project teams and senior management. Contribute to intellectual property generation through novel computational approaches. Mentor junior computational chemists and guide the work of external collaborators. Develop and maintain robust computational workflows for high-throughput analysis. Ensure the integrity and reproducibility of computational modeling studies. Contribute to the overall scientific strategy of the drug discovery organization. Identify and evaluate potential drug targets using computational approaches. Foster a collaborative and innovative research environment. Required Qualifications: Ph.D. in Computational Chemistry, Cheminformatics, Physical Chemistry, or a related field with a strong computational focus. A minimum of 8-10 years of experience in computational chemistry within the pharmaceutical or biotechnology industry. Proven expertise in a broad range of computational chemistry techniques, including molecular modeling, docking, virtual screening, MD simulations, and QSAR. Proficiency in scripting languages (e.g., Python, Perl) and experience with cheminformatics toolkits (e.g., RDKit, OpenBabel). Experience with molecular modeling software packages (e.g., Schrödinger, MOE, Discovery Studio, GROMACS). Strong understanding of organic chemistry, medicinal chemistry principles, and drug discovery processes. Excellent analytical, problem-solving, and critical thinking skills. Exceptional communication and presentation skills, with the ability to explain complex computational concepts to diverse audiences. Demonstrated ability to lead projects and mentor junior scientists. Experience with cloud computing and high-performance computing (HPC) environments is a plus. A track record of publications and/or patents in the field. A proactive and collaborative approach to scientific research. This is an exceptional opportunity for a seasoned computational chemist to make a significant impact on the development of life-changing medicines. Apply To This Job