Greater Boston
• Innovative scientist with a deep understanding of the structures, dynamics and functions of proteins and nucleic acids. • Interdisciplinary background spanning biochemistry, structural biology, and computational biology. • Research experience in both academic and industry settings
• Chief architect of the company’s high-throughput cloud computing infrastructure. • Lead developer of proprietary, fully-automated free-energy calculation engine (AutoFEP), as well as 10+ other MD simulation and quantum chemistry applications. • Co-developed MolRepX, a physics-augmented, deep-learning-based molecular descriptor for training highly accurate predicative models as well as intelligent and steerable generative models. • Spearheaded the development of a web-based graphic portal for all computational chemistry and AIDD applications to democratize the usage of computational tools within the entire company. • Designed the company’s programmatic compound and assay data management workflows and served as the administrator of the experimental and computational databases. • Supervised two PhD-level computational scientists to expand the computational platform and provide day-to-day support for internal programs. • Created the computation-driven TurboDesign compound ideation and triaging workflow, and coordinated across different functional teams and CROs to ensure its efficient operation. • Formulated early corporate strategies on computation and chemistry, and continued engaging in subsequent key decision-making as part of the research leadership team. • Interfaced with 20+ VC investors to primarily pitch the company’s computational capabilities during Series-A fund-raising.
- Project lead of an exploratory innate immune-oncology (IO) program. - Led the computational and structural biology work of two flag-ship small-molecule IO drug discovery programs from the very beginning to the pre-IND and lead-optimization (LO) stages, respectively. - Primary developer of proprietary scientific software packages covering a wide range of computational chemistry tasks such as quantum mechanical calculation, force-field parameterization, MD simulation, free-energy perturbation (FEP) calculations, and virtual screening. - Mentored a junior modeler and a structural biologist. Organizational knowledge leader in the field of computational structural biology.
I successfully developed more accurate computational models (i.e. force fields) for the molecular dynamics simulations of nucleic acids as well as protein-nucleic acid complexes.