Lu, L., Meehan, M., Gu, S., Chen, Z., Zhang, W., Zhang, G., Liu, L., Huang, X., Dorrestein, P., Xu, Y., Moore, B., Qian, P.,""Mechanism of Action of Thalassospiramides, A New Class of Calpain Inhibitors"", Sci. Rep., 5, 8783, (2015)

Xu, L., Wang, W., Zhang, L., Chong, J., Huang, X., Wang, D., ""Impact of template backbone heterogeneity on RNA polymerase II transcription"", Nucl. Acids Res., 43 (4), 2232-2241, (2015)

Zhao, E., Lam, J., Meng, L., Hong, Y., Deng, H., Bai, G., Huang, X., Hao, J., Tang, B., ""Aoly[(maleic anhydride)-alt-(vinyl acetate)]: A Pure Oxygenic Nonconjugated Macromolecule with Strong Light Emission and Solvatochromic Effect"", Macromolecules, 48 (1), 64–71, (2015)

Sheong, F.K., Silva, D.A., Meng, L., Zhao, Y., Huang, X. ""Automatic state Partitioning for Multi-body systems (APM): An Efficient Algorithm for Constructing Markov State Models to Elucidate Conformational Dynamics of Multi-body Systems"", J. Chem. Theory Comput., 11 (1), 17–27, (2015)

Liu, Y., Mu, C., Jiang, K., Zhao, J., Li, Y., Zhang, L., Li, Z., Lai, J., Hu, H., Ma, T., Hu, R., Yu, D., Huang, X., Tang, B., Yan, H. ""A Tetraphenylethylene Core-Based 3D Structure Small Molecular Acceptor Enabling Efficient Non-Fullerene Organic Solar Cells"", Adv. Mater., 27(6), 1015-1020, (2015)

Yu, J., Da, L.T., Huang, X., ""Constructing Kinetic Models to Elucidate Structural Dynamics of a Complete RNA Polymerase II Elongation Cycle"", Phys. Bio., 12, 016004, (2015)

Gu, S., Silva, D.A., Meng, L., Yue, A., Huang, X., ""Quantitatively Characterizing the Ligand Binding Mechanisms of Choline Binding Protein using Markov State Model Analysis"", PLoS. Comp. Bio., 10(8):e1003767, (2014)

Xu, L, Zhang, L., Chong, J., Xu, J., Huang, X., Wang, D., ""A Chemical Perspective on Transcriptional Fidelity and Evolution: Asymmetric Recognition of Phosphodiester Linkage by RNA Polymerase II"", Proc. Nat. Acad. Sci. U.S.A., 111, E3269–E3276, (2014)

Fu, A., Hung, K.W., Huang, H., Gu, S., Shen, Y., Cheng, Ip, F.,, Huang, X, Fu, W.,,Ip, N.Y., ""Blockade of EphA4 signaling ameliorates hippocampal synaptic dysfunctions in mouse models of Alzheimer's disease"", Proc. Nat. Acad. Sci. U.S.A., 111, 9959-9964, (2014)

Silva, D., Weiss. D., Pardo-Avila, F., Da, L., Levitt, M., Wang, D., Huang, X., ""Millisecond Dynamics of RNA Polymerase II Translocation at Atomic Resolution"", Proc. Nat. Acad. Sci. U.S.A., 111, 7665-7670, (2014)

Zhang, L., Silva, D.A., Yue, A., Zhang, H., Yan, Y., Huang, X., ""Dynamic Protein Conformations Preferentially Drive Energy Transfer along Active Chain of the Photosystem-II Reaction Center"", Nature Communications, 5:4170 doi: 10.1038/ncomms5170, (2014)

Qiao, Q., Bowman, G.R., Huang, X., “Dynamics of an intrinsically disordered protein reveal metastable conformations that potentially seed aggregation”, J. Am. Chem. Soc., 135 (43), 16092–16101, (2013)

Pardo-Avila, F., Da, L., Wang, Y., Huang, X., “Theoretical Investigations on Elucidating Fundamental Mechanisms of Catalysis and Dynamics Involved in Transcription by RNA Polymerase”, J. Theor. Comput. Chem., 12(8), 1341005, (2013) (Invited Review)

Bowman, G.R., Meng, L., Huang, X., “Quantitative comparison of alternative methods for coarse-graining biological networks ”, J. Chem. Phys., 139, 121905, (2013)

Yao, Y., Cui, R.Z., Bowman, G.R., Silva, D.A., Sun, J., Huang, X., “Hierarchical Nystrom Methods for Constructing Markov State Models for Conformational Dynamics ”, J. Chem. Phys., 138, 174106, (2013)

Da, L., Pardo-Avila, F., Wang, D., Huang, X., “A Two-State Model for the Dynamics of the Pyrophosphate Ion Release in Bacterial RNA Polymerase”, PLoS. Comp. Bio., 9(4): e1003020, (2013)

Zhao, Y., Sheong, F.K., Sun, J., Sander, P., Huang, X.“A Fast Parallel Clustering Algorithm for Molecular Simulation Trajectories”, J. Comput. Chem., 34(2), 95-104, (2013)"