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Npj Drug Discovery
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July 1, 2026
FeatureDock for protein-ligand docking guided by physicochemical feature-based local environment learning using transformer
Mingyi Xue, Bojun Liu, Siqin Cao, et al.
Methods (San Diego, Calif.)
|
May 5, 2009
Using generalized ensemble simulations and Markov state models to identify conformational states
Gregory R Bowman, Xuhui Huang, Vijay S Pande
The Journal of Chemical Physics
|
June 3, 2008
Convergence of folding free energy landscapes via application of enhanced sampling methods in a distributed computing environment
Xuhui Huang, Gregory R Bowman, Vijay S Pande
Environmental Research
|
May 8, 2024
Tri-layered core-shell structured deferoxamine magnetic particles promote Microcystis aeruginosa growth
Zunqing Du, Xuhui Huang, Hanqi Wu, et al.
Nature Communications
|
August 17, 2021
Temperature-dependent kinetic pathways of heterogeneous ice nucleation competing between classical and non-classical nucleation
Chu Li, Zhuo Liu, Eshani C Goonetilleke, et al.
The Journal of Physical Chemistry. B
|
September 22, 2006
Hydrophobic aided replica exchange: an efficient algorithm for protein folding in explicit solvent
Pu Liu, Xuhui Huang, Ruhong Zhou, et al.
The Journal of Physical Chemistry. B
|
February 24, 2006
Dynamics of water confined in the interdomain region of a multidomain protein
Lan Hua, Xuhui Huang, Ruhong Zhou, et al.
Journal of Computational Chemistry
|
June 12, 2012
Force field development for cofactors in the photosystem II
Lu Zhang, Daniel-Adriano Silva, Yijing Yan, et al.
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.
Bioessays : News and Reviews in Molecular, Cellular and Developmental Biology
|
November 10, 2020
Are endoplasmic reticulum subdomains shaped by asymmetric distribution of phospholipids? Evidence from a C. elegans model system
Zhe Cao, Xiaowei Wang, Xuhui Huang, et al.
Page
of 27
Search research articles
Search
Showing results (31-40 of 268) with videos related to
Sort By:
Page
of 27
Npj Drug Discovery
|
July 1, 2026
FeatureDock for protein-ligand docking guided by physicochemical feature-based local environment learning using transformer
Mingyi Xue, Bojun Liu, Siqin Cao, et al.
Methods (San Diego, Calif.)
|
May 5, 2009
Using generalized ensemble simulations and Markov state models to identify conformational states
Gregory R Bowman, Xuhui Huang, Vijay S Pande
The Journal of Chemical Physics
|
June 3, 2008
Convergence of folding free energy landscapes via application of enhanced sampling methods in a distributed computing environment
Xuhui Huang, Gregory R Bowman, Vijay S Pande
Environmental Research
|
May 8, 2024
Tri-layered core-shell structured deferoxamine magnetic particles promote Microcystis aeruginosa growth
Zunqing Du, Xuhui Huang, Hanqi Wu, et al.
Nature Communications
|
August 17, 2021
Temperature-dependent kinetic pathways of heterogeneous ice nucleation competing between classical and non-classical nucleation
Chu Li, Zhuo Liu, Eshani C Goonetilleke, et al.
The Journal of Physical Chemistry. B
|
September 22, 2006
Hydrophobic aided replica exchange: an efficient algorithm for protein folding in explicit solvent
Pu Liu, Xuhui Huang, Ruhong Zhou, et al.
The Journal of Physical Chemistry. B
|
February 24, 2006
Dynamics of water confined in the interdomain region of a multidomain protein
Lan Hua, Xuhui Huang, Ruhong Zhou, et al.
Journal of Computational Chemistry
|
June 12, 2012
Force field development for cofactors in the photosystem II
Lu Zhang, Daniel-Adriano Silva, Yijing Yan, et al.
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.
Bioessays : News and Reviews in Molecular, Cellular and Developmental Biology
|
November 10, 2020
Are endoplasmic reticulum subdomains shaped by asymmetric distribution of phospholipids? Evidence from a C. elegans model system
Zhe Cao, Xiaowei Wang, Xuhui Huang, et al.
Page
of 27