Allosteric Cooperativity Mechanism Investigation of Orthosteric and Allosteric Ligands in Modulating AR Activity: A Molecular Dynamics Study: Journal of Chemical Information and Modeling

Xiaotian Kong; Yushan Zou; Peng Cao; Yuxuan Dong; Keran Li; Xi Zhang; Yubo Liu; Sijin Wu; Sheng Tian; Chunhua Li; Tingjun Hou

doi:10.1021/acs.jcim.5c01571

Allosteric Cooperativity Mechanism Investigation of Orthosteric and Allosteric Ligands in Modulating AR Activity: A Molecular Dynamics Study: Journal of Chemical Information and Modeling

Xiaotian Kong
, Yushan Zou
, Peng Cao
, Yuxuan Dong
, Keran Li
, Xi Zhang
, Yubo Liu
, Sijin Wu
, Sheng Tian
, Chunhua Li
, Tingjun Hou

AoPHA Faculty

Research output: Contribution to journal › Article › peer-review

1 Citation (Scopus)

Original language	English
Pages (from-to)	11297-11313
Number of pages	17
Journal	Journal of Chemical Information and Modeling
Volume	65
Issue number	20
DOIs	https://doi.org/10.1021/acs.jcim.5c01571
Publication status	Published - 2025

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10.1021/acs.jcim.5c01571

Cite this

Kong, X., Zou, Y., Cao, P., Dong, Y., Li, K., Zhang, X., Liu, Y., Wu, S., Tian, S., Li, C., & Hou, T. (2025). Allosteric Cooperativity Mechanism Investigation of Orthosteric and Allosteric Ligands in Modulating AR Activity: A Molecular Dynamics Study: Journal of Chemical Information and Modeling. Journal of Chemical Information and Modeling, 65(20), 11297-11313. https://doi.org/10.1021/acs.jcim.5c01571

@article{347c1381fe6e475fb1247ea34ba55941,

title = "Allosteric Cooperativity Mechanism Investigation of Orthosteric and Allosteric Ligands in Modulating AR Activity: A Molecular Dynamics Study: Journal of Chemical Information and Modeling",

author = "Xiaotian Kong and Yushan Zou and Peng Cao and Yuxuan Dong and Keran Li and Xi Zhang and Yubo Liu and Sijin Wu and Sheng Tian and Chunhua Li and Tingjun Hou",

note = "doi: 10.1021/acs.jcim.5c01571",

year = "2025",

doi = "10.1021/acs.jcim.5c01571",

language = "English",

volume = "65",

pages = "11297--11313",

journal = "Journal of Chemical Information and Modeling",

issn = "1549-9596",

publisher = "American Chemical Society",

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}

Kong, X, Zou, Y, Cao, P, Dong, Y, Li, K, Zhang, X, Liu, Y, Wu, S, Tian, S, Li, C & Hou, T 2025, 'Allosteric Cooperativity Mechanism Investigation of Orthosteric and Allosteric Ligands in Modulating AR Activity: A Molecular Dynamics Study: Journal of Chemical Information and Modeling', Journal of Chemical Information and Modeling, vol. 65, no. 20, pp. 11297-11313. https://doi.org/10.1021/acs.jcim.5c01571

Allosteric Cooperativity Mechanism Investigation of Orthosteric and Allosteric Ligands in Modulating AR Activity: A Molecular Dynamics Study: Journal of Chemical Information and Modeling. / Kong, Xiaotian; Zou, Yushan; Cao, Peng et al.
In: Journal of Chemical Information and Modeling, Vol. 65, No. 20, 2025, p. 11297-11313.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Allosteric Cooperativity Mechanism Investigation of Orthosteric and Allosteric Ligands in Modulating AR Activity: A Molecular Dynamics Study

T2 - Journal of Chemical Information and Modeling

AU - Kong, Xiaotian

AU - Zou, Yushan

AU - Cao, Peng

AU - Dong, Yuxuan

AU - Li, Keran

AU - Zhang, Xi

AU - Liu, Yubo

AU - Wu, Sijin

AU - Tian, Sheng

AU - Li, Chunhua

AU - Hou, Tingjun

N1 - doi: 10.1021/acs.jcim.5c01571

PY - 2025

Y1 - 2025

U2 - 10.1021/acs.jcim.5c01571

DO - 10.1021/acs.jcim.5c01571

M3 - Article

SN - 1549-9596

VL - 65

SP - 11297

EP - 11313

JO - Journal of Chemical Information and Modeling

JF - Journal of Chemical Information and Modeling

IS - 20

ER -