" I wish my group members will always be curious, always be amazed by the nature, and always be learning. I hope people with different knowledge backgrounds and different thinking modes can challenge and inspire each other at Westlake. Here, we lead others in the fields, instead of following. "
Biography
Dr. Jing Huang is a principal investigator in the School of Life Sciences at Westlake University. He received his Bachelor and Master in Physics at Tsinghua University, and PhD in Chemistry in 2011 at University of Basel in Switzerland. He did his postdoctoral training from 2012 to 2017 in the Computer-Aided Drug Design Center in University of Maryland School of Pharmacy. In 2015 he was awarded a research contract from National Institute of Health (NIH), and thus held a joint appointment in the Laboratory of Computational Biology at the National Heart, Lung, and Blood Institute, NIH. He joined Westlake University in Nov. 2017.
His major scientific goal is to fundamentally improve the explanatory and predictive power of molecular simulations by delivering better computational models. For more details, please see: www.compbiophysics.org
Research
Dr. Huang’s general research interest lies in using computer simulation to understand complex systems, with particular focus on developing computational models and algorithms for biomacromolecules. One of the major factors that limit the usage and credibility of molecular modeling and simulations in solving practical biological problems is their accuracy, which depends critically on the quality of the underlying models, typically molecular mechanics force fields. The research in Dr. Huang’s lab will involve the development and optimization of these models, which can improve the accuracy and expand the applicability of computational tools for biomolecular simulations and computer-aided drug design.
Representative Publications
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)
Contact Us
Those who are interested in doing PhD or postdoc training in the lab should contact me directly. Talented undergraduate students and high school students are also welcome.