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Yue Qian


Qian Y, Cabeza de Vaca I, Vilseck JZ, et al. Absolute free energy of binding calculations for macrophage migration inhibitory factor in complex with a druglike inhibitor. J Phys Chem. B 2019;123:8675–8685. 

Robertson MJ, Qian Y, Robinson MC,  et al. Development and testing of the OPLS-AA/M force field for RNA. J Chem Theory Comput. 2019;15:2734–2742.

Cabeza de Vaca I, Qian Y, Vilseck JZ, et al. Enhanced Monte Carlo methods for modeling proteins including computation of absolute free energies of binding. J Chem Theory Comput. . 2018;14:3279–3288.

Yue Qian, Ph.D.

Yue Qian is a computational chemist I working in the Center for the Development of Therapeutics (CDoT) at the Broad Institute of MIT and Harvard under the direction of Arthur J. Campbell. She participates in multiple projects in collaboration with medicinal chemists, structural biologists, protein scientists, and many others. She utilizes all kinds of computational modeling tools for structure-based drug design.

Qian joined the Broad Institute in September 2019 after earning her Ph.D. in computational chemistry from Yale University. Aside from structure-based drug design, her areas of expertise include computational modeling and data science and bioinformatics.

Yue Qian also holds a M.Phil. in physical chemistry from the University of Hong Kong and a B.Sc. in chemistry from Fudan University.

Contact Yue Qian via email at

January 2021