Dr. David Case is a world renowned theoretical and computational chemist whose pioneering work has transformed drug discovery and molecular simulation methodologies. He currently holds the position of Professor Emeritus in the Department of Chemistry and Chemical Biology at Rutgers University New Brunswick where he has been a distinguished faculty member following previous appointments at the University of California Davis and The Scripps Research Institute. Educated at Michigan State University earning a Bachelor of Science in Chemistry and Harvard University where he obtained his Doctorate in Chemical Physics and Master of Arts in Physics Case built an illustrious career spanning several decades at the intersection of chemistry biology and computational science. His foundational training in both physics and chemistry provided the perfect interdisciplinary background for his groundbreaking contributions to computational molecular modeling.
Professor Case's most significant contribution is his development and leadership of the Amber suite of biomolecular simulation codes which has become one of the most widely used computational platforms in structural biology with applications in more than one thousand research laboratories worldwide. His innovative methods for molecular dynamics simulations of proteins and nucleic acids have fundamentally transformed how scientists approach drug design enabling researchers to predict drug target interactions with unprecedented accuracy and efficiency. With nearly three hundred scientific publications and an exceptionally high citation record exceeding 140000 citations Case's work has had profound impact across multiple disciplines particularly in elucidating the three dimensional structures and dynamic behaviors of biological macromolecules. His contributions to implicit solvent models and nuclear magnetic resonance spectroscopy interpretation have established new standards in computational biochemistry making complex molecular simulations accessible to researchers globally and accelerating the drug discovery process.
Beyond his technical contributions Case has been instrumental in shaping the field of computational chemistry through his editorial leadership having served on the editorial board of Biopolymers since 1990 and in similar capacities for numerous other research journals. His election to the National Academy of Sciences in 2025 represents the highest recognition of his sustained and transformative contributions to science affirming his status as one of the most influential figures in modern computational chemistry. As a Fellow of the Royal Society of Chemistry and recipient of the American Chemical Society Award for Computers in Chemical and Pharmaceutical Research Case has consistently bridged theoretical rigor with practical applications that benefit human health. His ongoing research at the Rutgers Center for Integrative Proteomics Research continues to push the boundaries of what is possible in biomolecular simulation ensuring that his legacy of innovation will continue to inspire and guide the next generation of computational scientists working at the frontier of drug discovery and molecular modeling.
