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Sharif H, Wang L, Wang WL, Magupalli VG, Andreeva L, Qiao Q, Hauenstein AV, Wu Z, Nunez G, Mao Y*, Wu H*. Structural mechanism for NEK7-licensed NLRP3 inflammasome activation. Nature 570, 338–343 (2019). doi: 10.1038/s41586-019-1295-z.

Dong Y, Mao Y. DNA origami as scaffolds for self-assembly of lipids and proteins. ChemBioChem (2019). doi: 10.1002/cbic.201900073.

Wang WL, Yu Z, Castillo-Menendez LR, Sodroski J, Mao Y*. Robustness of signal detection in cryo-electron microscopy via a bi-objective-function approach. BMC Bioinformatics 20, 169 (2019). doi: 10.1186/s12859-019-2714-8.

Dong Y, Zhang S, Wu Z, Li X, Wang WL, Zhu Y, Stoilova-McPhie S, Lu Y, Finley D, Mao Y*. Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome. Nature 565, 49-55 (2019). doi: 10.1038/s41586-018-0736-4.


Zhu Y, Wang WL, Yu D, Ouyang Q, Lu Y*, Mao Y*. Structural mechanism for nucleotide-driven remodeling of the AAA-ATPase unfoldase in the activated human 26S proteasome. Nat. Commun. 9, 1360 (2018). doi: 10.1038/s41467-018-03785-w.

Dong Y, Chen S, Zhang S, Sodroski J, Yang Z, Liu D, Mao Y*. Folding DNA into a lipid-conjugated nanobarrel for controlled reconstitution of membrane proteins. Angew. Chem. Int. Ed. 57, 2072-2076 (2018). doi:10.1002/anie.201710147.


Lu Y, Wu J, Dong Y, Chen S, Sun S, Ma YB, Ouyang Q, Finley D, Kirschner MW*, Mao Y*. Conformational landscape of the p28-bound human proteasome regulatory particle. Mol. Cell 67, 322-333.e6 (2017). doi: 10.1016/j.molcel.2017.06.007.

Wu J, Ma Y, Congdon C, Brett B, Chen S, Ouyang Q, Mao Y*. Massively parallel unsupervised single-particle cryo-EM data clustering via statistical manifold learning. PLoS ONE 12, e0182130 (2017). doi: 10.1371/journal.pone.0182130.

Zhu Y, Ouyang Q, Mao Y*. A deep convolutional neural network approach to single-particle recognition in cryo-electron microscopy. BMC Bioinformatics 18, 348 (2017). doi: 10.1186/s12859-017-1757-y.

Sharif H, Yang L, Dong Y, Dong L, Wang WL, Mao Y, Wu H. Cryo-EM structure of the DNA-PK holoenzyme. Proc. Natl. Acad. Sci. USA 114, 7367-7372 (2017). doi: 10.1073/pnas.1707386114

Pacheco B, Alsahafi N, Debbeche O, Prevost J, Ding S, Chapleau JP, Hershhorn A, Madani N, Princiotto A, Melillo B, Gu C, Zeng X, Mao Y, Smith III A, Sodroski J, Finzi A. Residues in the gp41 ectodomain regulate HIV-1 envelope glycoprotein conformational transitions induced by gp120-directed inhibitors. J. Virol. 91, e02219-16 (2017). Download

Nguyen HT, Madani N, Ding H, Elder E, Princiotto A, Gu C, Darby P, Alin J, Herschhorn A, Kappes JC, Mao Y, Sodroski JG. Evaluation of the contribution of the transmembrane region to the ectodomain conformation of the human immunodeficiency virus (HIV-1) envelope glycoprotein. Virol. J. 14, 33 (2017). Download


Chen S, Wu J, Lu Y, Ma YB, Lee BH, Yu Z, Ouyang Q, Finley D, Kirschner MW*, Mao Y*. Structural basis for dynamic regulation of the human 26S proteasome. Proc. Natl. Acad. Sci. USA 113, 12991-12996 (2016). doi: 10.1073/pnas.1614614113.

Xu Y, Wu J, Yin CC*, Mao Y*. Unsupervised cryo-EM data clustering through adaptively constrained K-means algorithm. PLoS ONE 11, e0167765 (2016). doi: 10.1371/journal.pone.0167765.

Lu A, Li Y, Schmidt FI, Yin Q, Chen S, Fu TM, Tong AB, Mao Y, Wu H. Molecular basis of caspase-1 polymerization and its inhibition by a new capping mechanism. Nat. Struct. Mol. Biol. 23, 416-425 (2016). doi: 10.1038/nsmb.3199

Mao Y. Chapter 3, Smart materials for protein-based nanoconstructions. Design, Fabrication, Properties and Applications of Smart and Advanced Materials. CRC Press, Taylor & Francis Group, Boca Raton, FL; pp. 53-89 (2016).


Zhang L, Chen S, Ruan J, Wu J, Tong AB, Yin Q, Li Y, David L, Lu A, Wang WL, Marks C, Ouyang Q, Zhang X, Mao Y*, Wu H*. Cryo-EM structure of the activated NAIP2-NLRC4 inflammasome reveals nucleated polymerization. Science 350, 404-409 (2015). doi: 10.1126/science.aac5789.

Go EP, Herschhorn A, Gu C, Castillo-Menendez L, Zhang S, Mao Y, Chen H, Ding H, Wakefield JK, Hua D, Liao HX, Kappes JC, Sodroski J, Desaire H. Comparative analysis of the glycosylation profiles of membrane-anchored HIV-1 envelope glycoprotein trimers and soluble gp140. J. Virol. 89, 8245-8257 (2015). Download


Mao Y*, Wang L, Gu C, Herschhorn A, Désormeaux A, Finzi A, Xiang SH, Sodroski JG*. Molecular architecture of the uncleaved HIV-1 envelope glycoprotein trimer. Proc. Natl. Acad. Sci. USA 110, 12438-12443 (2013). Download

Mao Y, Castillo-Menendez LR, Sodroski J. Validity of the cryo-electron microscopy structures of the HIV-1 envelope glycoprotein complex. Proc. Natl. Acad. Sci. USA 110, E4178-E4182 (2013). Download

Bohl C, Bowder D, Thompson J, Abrahamyan L, Gonzalez-Ramirez S, Mao Y, Sodroski J, Wood C, Xiang SH. A twin-cysteine motif in the V2 region of gp120 is associated with SIV envelope trimer stabilization. PLoS One 8, e69406 (2013). Download

Désormeaux A, Coutu M, Medjahed H, Pacheco B, Herschhorn A, Gu C, Xiang SH, Mao Y, Sodroski J, Finzi A. The highly conserved layer-3 component of the HIV-1 gp120 inner domain is critical for CD4-required conformational transitions. J. Virol. 87, 2549-2562 (2013). Download

Mao Y*, Wang L, Gu C, Herschhorn A, Xiang SH, Haim H, Yang X, Sodroski J*. Subunit organization of the membrane-bound HIV-1 envelope glycoprotein trimer. Nat. Struct. Mol. Biol. 19, 893-899 (2012). Download

Mao Y*, Zhang J. Understanding thermodynamic competitivity between biopolymer folding and misfolding under large-scale intermolecular interactions. J. Am. Chem. Soc. 134, 631-639 (2012). Download

Mao Y*, Wang WL, Wei D, Kaxiras E, Sodroski JG*. Graphene structures at an extreme degree of buckling. ACS Nano 5, 1395-400 (2011). Download

Kar AK, Mao Y, Bird G, Walensky L, Sodroski J. Characterization of a core fragment of the rhesus monkey TRIM5a protein. BMC Biochem. 12, 1 (2011).


Mao Y, Sun Q, Wang X, Ouyang Q, Han L, Jiang L, Han D. In vivo nanomechanical imaging of blood-vessel tissues directly in mammals using atomic force microscopy. Appl. Phys. Lett. 95, 013704 (2009). Download

Betti A, Fiori G, Iannaccone G, Mao Y. Physical insights on graphene nanoribbon mobility through atomistic simulations. IEEE International Electron Devices Meeting (IEDM) doi: 10.1109/IEDM.2009.5424276 (2009).

Xia F, Guo W, Mao Y, Hou X, Xue J, Xia H, Wang L, Song Y, Ji H, Ouyang Q, Wang Y, Jiang L. Gating of single synthetic nanopores by proton-driven DNA molecular motors. J. Am. Chem. Soc. 130, 8345-8350 (2008). Download

Mao Y, Luo C, Ouyang Q. Reversibly switchable DNA nanocompartment on surfaces: experiments, applications, and theory. Front. Phys. China 3, 72-87 (2008).

Mao Y, Chang S, Yang S, Ouyang Q, Jiang L. Tunable non-equilibrium gating of flexible DNA nanochannels in response to transport flux. Nat. Nanotechnol. 2, 366-371 (2007). Download

Mao Y, Liu D, Wang S, Luo S, Wang W, Yang Y, Ouyang Q, Jiang L. Alternating-electric-field-enhanced reversible switching of DNA nanocontainers with pH. Nucleic Acids Res. 35, e33 (2007).


Chang S, Mao Y, Luo C, Ouyang Q. Monte Carlo simulation of melting transition on DNA nanocompartment. J. Phys. Conf. Ser. 29, 18-26 (2006).

Mao Y, Luo C, Deng W, Jin G, Yu X, Zhang Z, Ouyang Q, Chen R, Yu D. Reversibly switchable DNA nanocompartment on surfaces. Nucleic Acids Res. 32, e144 (2004).

Mao Y, Luo C, Ouyang Q. Studies of temperature-dependent electronic transduction on DNA hairpin loop sensor. Nucleic Acids Res. 31, e108 (2003).

Xu J, Liu L, Mao Y, Li B. The realization of a fast and effective optimization method on atomic structure. J. Phys. Soc. Japan 71, 762-766 (2002).

Xu J, Liu L, Mao Y. Using an evolutionary algorithm based on cell-division operation to calculate ground-state energies of double-electron systems in magnetic fields. Chin. Phys. 10, 1118-1123 (2001).

Liu L, Zhao L, Mao Y, Xu D, Xu J, Li Y. Using an evolutionary algorithm to calculate the ground-state energy of double-electron atoms in a uniform magnetic field (B≤109G). Int. J. Mod. Phys. C 11, 183-194 (2000).

Publications in Chinese

Wu Z, Mao Y. Cryo-electron microscopy: A powerful tool to determine high-resolution structures of biological macromolecules. (Invited Review) Chin. Sci. Bulletin (科学通报) doi: 10.1360/N972017-01201 (2017).

Zhu Y, Zhang S, Mao Y. Cryo-electron microscopy revolutionizes molecular biophysics. (Invited Review) Physics (物理) 46, 76-83 (2017).

Luo C, Mao Y, Ouyang Q. DNA duplex membrane effect for the electrochemical detection of single-base DNA mutations. Acta Biophys. Sin. 21, 151-156 (2005).

Xu J, Liu L, Mao Y. Using a cellular evolutionary algorithm to study atomic structure. Chin. J. Atom. Mol. Phys. 18, 67-71 (2001).

Xu J, Liu L, Mao Y. Evolutionary solution of H- and He magnetic field. Chin. J. Comp. Phys. 18, 43-46 (2001).

Xu J, Liu L, Zhao L, Mao Y, Li Y. Using an evolutionary algorithm for calculating the ground-state energy of a double-electron system in a uniform magnetic field below 10+9G. Acta Phys. Sin. 49, 225-229 (2000).

Xu J, Liu L, Mao Y, et al. Magnetic field parameter optimization using an evolutionary algorithm. Chin. J. Atom. Mol. Phys. 17, 343-348 (2000).

Xu J, Liu L, Mao Y, Li Y. Cellular evolutionary algorithm: a new optimization method on ground-state energy of the atomic structure. Wuhan Univ. J. Nat. Sci. 5, 425-430 (2000).