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Journal of Chemical Theory and Computation|September 7, 2023
Streamlining and Optimizing Strategies of Electrostatic ParameterizationQiang Zhu, Yongxian Wu, Shiji Zhao, et al.
The Journal of Physical Chemistry. B|October 8, 2025
Optimization of Lennard-Jones Parameters for Induced Dipole Polarizable Gaussian Multipole Force FieldTaoyu Niu, Junmei Wang, Zhen Huang, et al.
Plos One|November 15, 2023
Novel breath biomarkers identification for early detection of hepatocellular carcinoma and cirrhosis using ML tools and GCMSNoor Ul Ain Nazir, Muhammad Haroon Shaukat, Ray Luo, et al.
Chemical Physics Letters|January 26, 2010
Achieving Energy Conservation in Poisson-Boltzmann Molecular Dynamics: Accuracy and Precision with Finite-Difference AlgorithmsJun Wang, Qin Cai, Zhi-Lin Li, et al.
The Journal of Physical Chemistry. B|March 12, 2011
Development of polarizable models for molecular mechanical calculations I: parameterization of atomic polarizabilityJunmei Wang, Piotr Cieplak, Jie Li, et al.
Molecular Biosystems|November 15, 2016
Allosteric pathways in tetrahydrofolate sensing riboswitch with dynamics correlation networkJin-Mai Zhang, Cheng Jiang, Wei Ye, et al.
Physical Chemistry Chemical Physics : PCCP|November 14, 2012
Exploring a charge-central strategy in the solution of Poisson's equation for biomolecular applicationsXingping Liu, Changhao Wang, Jun Wang, et al.
The Journal of Chemical Physics|September 23, 2020
Efficient formulation of polarizable Gaussian multipole electrostatics for biomolecular simulationsHaixin Wei, Ruxi Qi, Junmei Wang, et al.
Scientific Reports|August 4, 2016
Dynamics Correlation Network for Allosteric Switching of PreQ1 RiboswitchWei Wang, Cheng Jiang, Jinmai Zhang, et al.
Catalysts (Basel, Switzerland)|August 28, 2023
In Vivo, High-Throughput Selection of Thermostable Cyclohexanone Monooxygenase (CHMO)Sarah Maxel, Linyue Zhang, Edward King, et al.
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