Jing HUANG, Ph.D.

School of Life Sciences

Laboratory of Computational Biophysics and Drug Design

CONTACT

Email: huangjing@westlake.edu.cn

Website:

Jing HUANG, Ph.D.

School of Life Sciences

Laboratory of Computational Biophysics and Drug Design

CONTACT

Email: huangjing@westlake.edu.cn

Website:

" 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 Summary

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.


Selected  Publications

[1] 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

[2] J. Huang  and A. MacKerell Jr., Force Field Development and Simulations of  Intrinsically Disordered Proteins, Curr. Opin. Struct. Biol.,  48:40, 2018

[3] 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

[4] 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

[5]  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.