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Journal of Chemical Theory and Computation
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January 8, 2025
Performance Tuning of Polarizable Gaussian Multipole Model in Molecular Dynamics Simulations
Zhen Huang, Yongxian Wu, Yong Duan, et al.
ACS Synthetic Biology
|
June 26, 2018
Development of a High-Throughput, In Vivo Selection Platform for NADPH-Dependent Reactions Based on Redox Balance Principles
Linyue Zhang, Edward King, Ray Luo, et al.
The Journal of Chemical Physics
|
March 23, 2022
Stress tensor and constant pressure simulation for polarizable Gaussian multipole model
Haixin Wei, Piotr Cieplak, Yong Duan, et al.
Journal of Chemical Theory and Computation
|
November 28, 2012
Reducing grid-dependence in finite-difference Poisson-Boltzmann calculations
Jun Wang, Qin Cai, Ye Xiang, et al.
Journal of Chemical Theory and Computation
|
March 30, 2026
AmberTorchPB: A Unified Framework for Poisson-Boltzmann-Based Reaction Field Energy Calculation via Tensor Computation
Yongxian Wu, Qiankang Wang, Robin Jiang, et al.
Journal of Chemical Theory and Computation
|
February 23, 2024
Assessment of Amino Acid Electrostatic Parametrizations of the Polarizable Gaussian Multipole Model
Shiji Zhao, Piotr Cieplak, Yong Duan, et al.
Biophysical Journal
|
July 22, 2009
Roles of boundary conditions in DNA simulations: analysis of ion distributions with the finite-difference Poisson-Boltzmann method
Xiang Ye, Qin Cai, Wei Yang, et al.
Frontiers in Molecular Biosciences
|
August 30, 2021
Recent Developments in Free Energy Calculations for Drug Discovery
Edward 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 Methods
Qin 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 Clouds
Yongxian Wu, Haixin Wei, Qiang Zhu, et al.
Page
of 15
Search research articles
Search
Showing results (41-50 of 147) with videos related to
Sort By:
Page
of 15
Journal of Chemical Theory and Computation
|
January 8, 2025
Performance Tuning of Polarizable Gaussian Multipole Model in Molecular Dynamics Simulations
Zhen Huang, Yongxian Wu, Yong Duan, et al.
ACS Synthetic Biology
|
June 26, 2018
Development of a High-Throughput, In Vivo Selection Platform for NADPH-Dependent Reactions Based on Redox Balance Principles
Linyue Zhang, Edward King, Ray Luo, et al.
The Journal of Chemical Physics
|
March 23, 2022
Stress tensor and constant pressure simulation for polarizable Gaussian multipole model
Haixin Wei, Piotr Cieplak, Yong Duan, et al.
Journal of Chemical Theory and Computation
|
November 28, 2012
Reducing grid-dependence in finite-difference Poisson-Boltzmann calculations
Jun Wang, Qin Cai, Ye Xiang, et al.
Journal of Chemical Theory and Computation
|
March 30, 2026
AmberTorchPB: A Unified Framework for Poisson-Boltzmann-Based Reaction Field Energy Calculation via Tensor Computation
Yongxian Wu, Qiankang Wang, Robin Jiang, et al.
Journal of Chemical Theory and Computation
|
February 23, 2024
Assessment of Amino Acid Electrostatic Parametrizations of the Polarizable Gaussian Multipole Model
Shiji Zhao, Piotr Cieplak, Yong Duan, et al.
Biophysical Journal
|
July 22, 2009
Roles of boundary conditions in DNA simulations: analysis of ion distributions with the finite-difference Poisson-Boltzmann method
Xiang Ye, Qin Cai, Wei Yang, et al.
Frontiers in Molecular Biosciences
|
August 30, 2021
Recent Developments in Free Energy Calculations for Drug Discovery
Edward 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 Methods
Qin 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 Clouds
Yongxian Wu, Haixin Wei, Qiang Zhu, et al.
Page
of 15