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The Journal of Chemical Physics
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December 3, 2008
On the simulated scaling based free energy simulations: Adaptive optimization of the scaling parameter intervals
Lianqing Zheng, Wei Yang
Journal of Chemical Theory and Computation
|
November 24, 2015
Practically Efficient and Robust Free Energy Calculations: Double-Integration Orthogonal Space Tempering
Lianqing Zheng, Wei Yang
The Journal of Chemical Physics
|
July 16, 2008
Essential energy space random walks to accelerate molecular dynamics simulations: convergence improvements via an adaptive-length self-healing strategy
Lianqing Zheng, Wei Yang
The Journal of Physical Chemistry. B
|
August 11, 2006
On the accuracy of force fields for predicting the physical properties of dimethylnitramine
Lianqing Zheng, Donald L Thompson
The Journal of Chemical Physics
|
September 13, 2006
Molecular dynamics simulations of melting of perfect crystalline hexahydro-1,3,5-trinitro-1,3,5-s-triazine
Lianqing Zheng, Donald L Thompson
Proceedings of the National Academy of Sciences of the United States of America
|
December 17, 2008
Random walk in orthogonal space to achieve efficient free-energy simulation of complex systems
Lianqing Zheng, Mengen Chen, Wei Yang
The Journal of Chemical Physics
|
January 2, 2026
An accurate and efficient NPT ensemble molecular dynamics simulation method
Zilin Huang, Lianqing Zheng, Wei Yang
The Journal of Chemical Physics
|
June 25, 2009
Simultaneous escaping of explicit and hidden free energy barriers: application of the orthogonal space random walk strategy in generalized ensemble based conformational sampling
Lianqing Zheng, Mengen Chen, Wei Yang
The Journal of Chemical Physics
|
February 4, 2012
Generalized essential energy space random walks to more effectively accelerate solute sampling in aqueous environment
Chao Lv, Lianqing Zheng, Wei Yang
The Journal of Chemical Physics
|
June 16, 2025
A Gaussian kernel Monte Carlo resampling method to construct smooth free energy surface from discrete simulation data
Xubin Li, Tianming Qu, Lianqing Zheng, et al.
Page
of 5
Search research articles
Search
Showing results (1-10 of 45) with videos related to
Sort By:
Page
of 5
The Journal of Chemical Physics
|
December 3, 2008
On the simulated scaling based free energy simulations: Adaptive optimization of the scaling parameter intervals
Lianqing Zheng, Wei Yang
Journal of Chemical Theory and Computation
|
November 24, 2015
Practically Efficient and Robust Free Energy Calculations: Double-Integration Orthogonal Space Tempering
Lianqing Zheng, Wei Yang
The Journal of Chemical Physics
|
July 16, 2008
Essential energy space random walks to accelerate molecular dynamics simulations: convergence improvements via an adaptive-length self-healing strategy
Lianqing Zheng, Wei Yang
The Journal of Physical Chemistry. B
|
August 11, 2006
On the accuracy of force fields for predicting the physical properties of dimethylnitramine
Lianqing Zheng, Donald L Thompson
The Journal of Chemical Physics
|
September 13, 2006
Molecular dynamics simulations of melting of perfect crystalline hexahydro-1,3,5-trinitro-1,3,5-s-triazine
Lianqing Zheng, Donald L Thompson
Proceedings of the National Academy of Sciences of the United States of America
|
December 17, 2008
Random walk in orthogonal space to achieve efficient free-energy simulation of complex systems
Lianqing Zheng, Mengen Chen, Wei Yang
The Journal of Chemical Physics
|
January 2, 2026
An accurate and efficient NPT ensemble molecular dynamics simulation method
Zilin Huang, Lianqing Zheng, Wei Yang
The Journal of Chemical Physics
|
June 25, 2009
Simultaneous escaping of explicit and hidden free energy barriers: application of the orthogonal space random walk strategy in generalized ensemble based conformational sampling
Lianqing Zheng, Mengen Chen, Wei Yang
The Journal of Chemical Physics
|
February 4, 2012
Generalized essential energy space random walks to more effectively accelerate solute sampling in aqueous environment
Chao Lv, Lianqing Zheng, Wei Yang
The Journal of Chemical Physics
|
June 16, 2025
A Gaussian kernel Monte Carlo resampling method to construct smooth free energy surface from discrete simulation data
Xubin Li, Tianming Qu, Lianqing Zheng, et al.
Page
of 5