Jing HUANG, Ph.D.
School of Life Sciences
Laboratory of Computational Biophysics and Drug Design
" 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. "
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
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.
 J. Huang, J. Lemkul, P. Eastman, and A. MacKerell Jr., Molecular Dynamics Simulations Using the Drude Polarizable Force Field on GPUs with OpenMM: Implementation, Validation, and Benchmarks, J. Comp. Chem., 39:1682, 2018
 J. Huang and A. MacKerell Jr., Force Field Development and Simulations of Intrinsically Disordered Proteins, Curr. Opin. Struct. Biol., 48:40, 2018
 J. Huang,* A. Simmonett, F. Pickard, A. MacKerell Jr., and B. Brooks, Mapping the Drude Polarizable Force Field onto a Multipole and Induced Dipole Mode, J. Chem. Phys., 147:161702, 2017
 J. Huang, S. Rauscher, G. Nawrocki, T. Ran, M. Feig, B. de Groot, H. Grubmueller, and A. MacKerell Jr., CHARMM36m: An Improved Force Field for Folded and Intrinsically Disordered Proteins, Nat. Methods, 14:71, 2017
 J. Huang, Y. Mei, G. Konig, A. Simmonett, F. Pickard, Q. Wu, L.-P. Wang, A. MacKerell Jr., B. Brooks, and Y. Shao, An Estimation of Hybrid Quantum Mechanical Molecular Mechanical Polarization Energies for Small Molecules Using Polarizable Force-Field Approaches, J. Chem. Theo. Comput., 13:679, 2017
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.