Junmei Wang

Publications (11)

Publications listed in the lab bibliography, across all years.

2025

Taoyu Niu, Junmei Wang, Zhen Huang, Ray Luo, Piotr Cieplak, Yong Duan (2025). Optimization of Lennard–Jones Parameters for Induced Dipole Polarizable Gaussian Multipole Force Field. The Journal of Physical Chemistry B.

Yong Duan, Junmei Wang, Piotr Cieplak, Ray Luo (2025). Refinement of Atomic Polarizabilities for a Polarizable Gaussian Multipole Force Field with Simultaneous Considerations of Both Molecular Polarizability Tensors and In-Solution Electrostatic Potentials. Journal of Chemical Information and Modeling.

2024

Yong Duan, Taoyu Niu, Junmei Wang, Piotr Cieplak, Ray Luo (2024). PCMRESP: A Method for Polarizable Force Field Parameter Development and Transferability of the Polarizable Gaussian Multipole Models Across Multiple Solvents. Journal of Chemical Theory and Computation.

2020

Haixin Wei, Ruxi Qi, Junmei Wang, Piotr Cieplak, Yong Duan, Ray Luo (2020). Efficient formulation of polarizable Gaussian multipole electrostatics for biomolecular simulations. The Journal of Chemical Physics.

2019

Junmei Wang, Piotr Cieplak, Ray Luo, Yong Duan (2019). Development of Polarizable Gaussian Model for Molecular Mechanical Calculations I: Atomic Polarizability Parameterization To Reproduce ab Initio Anisotropy. Journal of Chemical Theory and Computation.

2017

Li Xiao, Jianxiong Diao, D’Artagnan Greene, Junmei Wang, Ray Luo (2017). A Continuum Poisson–Boltzmann Model for Membrane Channel Proteins. Journal of Chemical Theory and Computation.

2012

Junmei Wang, Piotr Cieplak, Jie Li, Qin Cai, Meng-Juei Hsieh, Ray Luo, Yong Duan (2012). Development of Polarizable Models for Molecular Mechanical Calculations. 4. van der Waals Parametrization. The Journal of Physical Chemistry B.

2008

Yu-Hong Tan, Chunhu Tan, Junmei Wang, Ray Luo (2008). Continuum Polarizable Force Field within the Poisson−Boltzmann Framework. The Journal of Physical Chemistry B.

2006

Lijiang Yang, Chun-Hu Tan, Meng-Juei Hsieh, Junmei Wang, Yong Duan, Piotr Cieplak, James Caldwell, Peter A. Kollman, Ray Luo (2006). New-Generation Amber United-Atom Force Field. The Journal of Physical Chemistry B.

2003

Yong Duan, Chun Wu, Shibasish Chowdhury, Mathew C. Lee, Guoming Xiong, Wei Zhang, Rong Yang, Piotr Cieplak, Ray Luo, Taisung Lee, James Caldwell, Junmei Wang, Peter Kollman (2003). A point‐charge force field for molecular mechanics simulations of proteins based on condensed‐phase quantum mechanical calculations. Journal of Computational Chemistry.

2001

Wei Wang, Wendell A. Lim, Araz Jakalian, Jian Wang, Junmei Wang, Ray Luo, Christopher I. Bayly, Peter A. Kollman (2001). An Analysis of the Interactions between the Sem−5 SH3 Domain and Its Ligands Using Molecular Dynamics, Free Energy Calculations, and Sequence Analysis. Journal of the American Chemical Society.