Anastasiya Stepanova

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About

Anastasiya Stepanova is a pioneering computational biophysicist whose work bridges molecular simulation and antibody engineering. Her research centers on developing robotic QM/MM-driven approaches to model and mature antibody combining sites, enabling the design of high-affinity therapeutic proteins. Her most cited paper, "Robotic QM/MM-driven maturation of antibody combining sites" (2016, 21 citations), introduces a groundbreaking method that integrates quantum mechanical and molecular mechanical simulations with automated robotics to optimize antibody specificity and stability. This work directly addresses the critical challenge of affinity maturation in antibodies selected from combinatorial libraries, particularly for generating in vivo scavengers against toxins. Stepanova’s contributions have profound implications for synthetic biology and drug discovery, offering a scalable pipeline to evolve antibodies with enhanced binding properties. Her innovative fusion of computational chemistry and experimental automation marks her as a rising leader in rational protein design, with her citation record reflecting growing recognition among peers. For students and researchers, her work exemplifies how interdisciplinary approaches can accelerate the development of next-generation biologics.