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Biophysical Journal|July 22, 2009
Roles of boundary conditions in DNA simulations: analysis of ion distributions with the finite-difference Poisson-Boltzmann methodXiang Ye, Qin Cai, Wei Yang, et al.Frontiers in Molecular Biosciences|August 30, 2021
Recent Developments in Free Energy Calculations for Drug DiscoveryEdward King, Erick Aitchison, Han Li, et al.Journal of Chemical Theory and Computation|April 29, 2014
On-the-fly Numerical Surface Integration for Finite-Difference Poisson-Boltzmann MethodsQin Cai, Xiang Ye, Jun Wang, et al.The Journal of Physical Chemistry Letters|October 2, 2023
Grid-Robust Efficient Neural Interface Model for Universal Molecule Surface Construction from Point CloudsYongxian Wu, Haixin Wei, Qiang Zhu, et al.Journal of Chemical Theory and Computation|January 16, 2019
Development of Polarizable Gaussian Model for Molecular Mechanical Calculations I: Atomic Polarizability Parameterization To Reproduce ab Initio AnisotropyJunmei Wang, Piotr Cieplak, Ray Luo, et al.Journal of Chemical Theory and Computation|May 30, 2017
Acceleration of Linear Finite-Difference Poisson-Boltzmann Methods on Graphics Processing UnitsRuxi Qi, Wesley M Botello-Smith, Ray LuoJournal of Chemical Information and Modeling|April 2, 2020
Environment-Specific Force Field for Intrinsically Disordered and Ordered ProteinsDong Song, Hao Liu, Ray Luo, et al.Biophysical Journal|September 2, 2008
All-atom computer simulations of amyloid fibrils disaggregationJun Wang, Chunhu Tan, Hai-Feng Chen, et al.Journal of Chemical Theory and Computation|April 12, 2014
Performance of Nonlinear Finite-Difference Poisson-Boltzmann SolversQin Cai, Meng-Juei Hsieh, Jun Wang, et al.RSC Advances|November 7, 2017
Conformation Dynamics of the Intrinsically Disordered Protein c-Myb with the ff99IDPs Force FieldXiang Guo, Jincheng Han, Ray Luo, et al.Pageof 15