1. Francois A. Thelot, Wenyi Zhang, KangKang Song, Chen Xu, Jing Huang, and Maofu Liao*, Distinct Allosteric Mechanisms of First-generation MsbA Inhibitors, Science, 374, 580 (2021)

2. Zhijun Pan, Jing Huang*, and Wei Zhuang*, Protein-Ligand Binding Molecular Details Revealed by Terahertz Optical Kerr Spectroscopy: A Simulation Study, JACS Au, 1, 1788 (2021)

3. You Xu and Jing Huang*, Validating the CHARMM36m Protein Force Field with LJ-PME Reveals Altered Hydrogen Bonding Dynamics under Elevated Pressures, Commun. Chem., 4, 99 (2021)

4. Jian Zhu and Jing Huang*, Methylguanidinium at the Air/Water Interface: A Simulation Study with the Drude Polarizable Force Field, J. Phys. Chem. B, 125, 393 (2021)

5. Jinghui Zhang, Zongyang Qiu, Jiahua Fan, Fang He, Wenyuan Kang, Sihui Yang, Hong-hui Wang*, Jing Huang*, and Zhou Nie*, Scan and Unlock: a Programmable DNA Molecular Automaton for Cell-specific Modulation of a Signaling Ligand-receptor Interaction, Angew. Chem. Int. Ed., 60, 6733 (2021)

6. Shuai Wang^#, Zongyang Qiu^#, Yingnan Hou^#, Xiya Deng^#, Wei Xu^#, Tingting Zheng, Peihan Wu, Shaofang Xie, Weixiang Bian, Chong Zhang, Zewei Sun, Kunpeng Liu, Chao Shan, Aifu Lin, Shibo Jiang, Youhua Xie, Qiang Zhou, Lu Lu*, Jing Huang*, and Xu Li*, AXL is a Candidate Receptor for SARS-CoV-2 that Promotes Infection of Pulmonary and Bronchial Epithelial Cells, Cell Research, 31, 126 (2021)

7. Renhong Yan^#, Yaning Li^#, Yi Shi^#, Jiayao Zhou, Jianlin Lei, Jing Huang*, and Qiang Zhou*, Cryo-EM Structure of the Human Heteromeric Amino Acid Transporter b0,+AT-rBAT, Science Advances, 6, eaay6379 (2020)

8. Ye Ding, You Xu, Cheng Qian, Jinfeng Chen, Jian Zhu, Houhou Huang, Yi Shi, and Jing Huang*, Predicting Partition Coefficients of Drug-like Molecules in the SAMPL6 Challenge with Drude Polarizable Force Fields, J. Comput. Aided Mol. Des., 34, 421 (2020)

9. Jing Huang*, Andrew C. Simmonett, Frank C. Pickard IV, Alexander D. MacKerell Jr., and Bernard R. Brooks, Mapping the Drude Polarizable Force Field onto a Multipole and Induced Dipole Model, J. Chem. Phys., 147, 161702 (2017)

10. Jing Huang, Sarah Rauscher, Grzegorz Nawrocki, Ting Ran, Michael Feig, Bert L. de Groot, Helmut Grubmueller, and Alexander D. MacKerell Jr.*, CHARMM36m: An Improved Force Field for Folded and Intrinsically Disordered Proteins, Nature Methods, 14, 71 (2017)