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The Journal of Chemical Physics
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August 10, 2015
Reference interaction site model with hydrophobicity induced density inhomogeneity: An analytical theory to compute solvation properties of large hydrophobic solutes in the mixture of polyatomic solvent molecules
Siqin Cao, Fu Kit Sheong, Xuhui Huang
Journal of Computational Chemistry
|
March 1, 2023
EPISOL: A software package with expanded functions to perform 3D-RISM calculations for the solvation of chemical and biological molecules
Siqin Cao, Michael L Kalin, Xuhui Huang
The Journal of Chemical Physics
|
November 4, 2025
A Python tutorial for 3DRISM solvation calculations of chemical and biological molecules
Peter C Swanson, Siqin Cao, Xuhui Huang
The Journal of Chemical Physics
|
March 22, 2024
Tutorial on how to build non-Markovian dynamic models from molecular dynamics simulations for studying protein conformational changes
Yue Wu, Siqin Cao, Yunrui Qiu, et al.
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|
December 21, 2011
Transformation of an oblate-shaped vesicle induced by an adhering spherical particle
Siqin Cao, Guanghong Wei, Jeff Z Y Chen
The Journal of Chemical Physics
|
October 3, 2023
Integrative generalized master equation: A method to study long-timescale biomolecular dynamics via the integrals of memory kernels
Siqin Cao, Yunrui Qiu, Michael L Kalin, et al.
The Journal of Physical Chemistry. B
|
May 27, 2014
Interactions of a water-soluble fullerene derivative with amyloid-β protofibrils: dynamics, binding mechanism, and the resulting salt-bridge disruption
Xiaoying Zhou, Wenhui Xi, Yin Luo, et al.
Journal of the American Chemical Society
|
April 27, 2023
Memory Unlocks the Future of Biomolecular Dynamics: Transformative Tools to Uncover Physical Insights Accurately and Efficiently
Anthony J Dominic, Siqin Cao, Andrés Montoya-Castillo, et al.
Nature Computational Science
|
June 10, 2025
Memory kernel minimization-based neural networks for discovering slow collective variables of biomolecular dynamics
Bojun Liu, Siqin Cao, Jordan G Boysen, et al.
Journal of Chemical Theory and Computation
|
April 21, 2025
AMUSET-TICA: A Tensor-Based Approach for Identifying Slow Collective Variables in Biomolecular Dynamics
Siqin Cao, Feliks Nüske, Bojun Liu, et al.
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Search research articles
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Showing results (1-10 of 22) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
August 10, 2015
Reference interaction site model with hydrophobicity induced density inhomogeneity: An analytical theory to compute solvation properties of large hydrophobic solutes in the mixture of polyatomic solvent molecules
Siqin Cao, Fu Kit Sheong, Xuhui Huang
Journal of Computational Chemistry
|
March 1, 2023
EPISOL: A software package with expanded functions to perform 3D-RISM calculations for the solvation of chemical and biological molecules
Siqin Cao, Michael L Kalin, Xuhui Huang
The Journal of Chemical Physics
|
November 4, 2025
A Python tutorial for 3DRISM solvation calculations of chemical and biological molecules
Peter C Swanson, Siqin Cao, Xuhui Huang
The Journal of Chemical Physics
|
March 22, 2024
Tutorial on how to build non-Markovian dynamic models from molecular dynamics simulations for studying protein conformational changes
Yue Wu, Siqin Cao, Yunrui Qiu, et al.
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|
December 21, 2011
Transformation of an oblate-shaped vesicle induced by an adhering spherical particle
Siqin Cao, Guanghong Wei, Jeff Z Y Chen
The Journal of Chemical Physics
|
October 3, 2023
Integrative generalized master equation: A method to study long-timescale biomolecular dynamics via the integrals of memory kernels
Siqin Cao, Yunrui Qiu, Michael L Kalin, et al.
The Journal of Physical Chemistry. B
|
May 27, 2014
Interactions of a water-soluble fullerene derivative with amyloid-β protofibrils: dynamics, binding mechanism, and the resulting salt-bridge disruption
Xiaoying Zhou, Wenhui Xi, Yin Luo, et al.
Journal of the American Chemical Society
|
April 27, 2023
Memory Unlocks the Future of Biomolecular Dynamics: Transformative Tools to Uncover Physical Insights Accurately and Efficiently
Anthony J Dominic, Siqin Cao, Andrés Montoya-Castillo, et al.
Nature Computational Science
|
June 10, 2025
Memory kernel minimization-based neural networks for discovering slow collective variables of biomolecular dynamics
Bojun Liu, Siqin Cao, Jordan G Boysen, et al.
Journal of Chemical Theory and Computation
|
April 21, 2025
AMUSET-TICA: A Tensor-Based Approach for Identifying Slow Collective Variables in Biomolecular Dynamics
Siqin Cao, Feliks Nüske, Bojun Liu, et al.
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of 3