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Peng, Chunwang
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1

Application scenario-oriented molecule generation platform ..:

Zheng, Lianjun ; Shi, Fangjun ; Peng, Chunwang...
Methods.  222 (2024)  - p. 112-121 , 2024
Link: https://doi.org/10.1016/..
 
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2

Hit Identification Driven by Combining Artificial Intellige..:

Wei, Lin ; Xu, Min ; Liu, Zhiqiang...
Journal of Chemical Information and Modeling.  63 (2023)  16 - p. 5341-5355 , 2023
Link: https://doi.org/10.1021/..
 
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3

Correction to "A Cloud Computing Platform for Scalable Rela..:

Lin, Zhixiong ; Zou, Junjie ; Liu, Shuai...
Journal of Chemical Information and Modeling.  61 (2021)  9 - p. 4819-4819 , 2021
Link: https://doi.org/10.1021/..
 
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A Cloud Computing Platform for Scalable Relative and Absolu..:

Lin, Zhixiong ; Zou, Junjie ; Liu, Shuai...
Journal of Chemical Information and Modeling.  61 (2021)  6 - p. 2720-2732 , 2021
Link: https://doi.org/10.1021/..
 
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5

Scaffold Hopping Transformations Using Auxiliary Restraints..:

Zou, Junjie ; Li, Zhipeng ; Liu, Shuai...
Journal of Chemical Theory and Computation.  17 (2021)  6 - p. 3710-3726 , 2021
Link: https://doi.org/10.1021/..
 
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6

Prediction of the Relative Free Energies of Drug Polymorphs..:

Yang, Mingjun ; Dybeck, Eric ; Sun, Guangxu...
Crystal Growth & Design.  20 (2020)  8 - p. 5211-5224 , 2020
Link: https://doi.org/10.1021/..
 
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7

Molecular Understanding of Laccase Adsorption on Charged Se..:

Liu, Jie ; Xie, Yun ; Peng, Chunwang..
The Journal of Physical Chemistry B.  121 (2017)  47 - p. 10610-10617 , 2017
Link: https://doi.org/10.1021/..
 
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8

Molecular simulations of cytochrome c adsorption on positiv..:

Peng, Chunwang ; Liu, Jie ; Xie, Yun.
Physical Chemistry Chemical Physics.  18 (2016)  15 - p. 9979-9989 , 2016
Link: https://doi.org/10.1039/..
 
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9

Molecular Understanding of the Penetration of Functionalize..:

Quan, Xuebo ; Peng, Chunwang ; Zhao, Daohui...
Langmuir.  33 (2016)  1 - p. 361-371 , 2016
Link: https://doi.org/10.1021/..
 
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10

High-throughput computational screening of 137953 metal–org..:

Qiao, Zhiwei ; Peng, Chunwang ; Zhou, Jian.
Journal of Materials Chemistry A.  4 (2016)  41 - p. 15904-15912 , 2016
Link: https://doi.org/10.1039/..
 
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11

Structural properties of polymer-brush-grafted gold nanopar..:

Quan, Xuebo ; Peng, ChunWang ; Dong, Jiaqi.
Soft Matter.  12 (2016)  14 - p. 3352-3359 , 2016
Link: https://doi.org/10.1039/..
 
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12

Lipase adsorption on different nanomaterials: a multi-scale..:

Zhao, Daohui ; Peng, Chunwang ; Zhou, Jian
Physical Chemistry Chemical Physics.  17 (2015)  2 - p. 840-850 , 2015
Link: https://doi.org/10.1039/..
 
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13

Molecular Simulations of Cytochrome c Adsorption on a Bare ..:

Peng, Chunwang ; Liu, Jie ; Zhou, Jian
The Journal of Physical Chemistry C.  119 (2015)  35 - p. 20773-20781 , 2015
Link: https://doi.org/10.1021/..
 
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14

Molecular Simulation Study of Feruloyl Esterase Adsorption ..:

Liu, Jie ; Peng, Chunwang ; Yu, Gaobo.
Langmuir.  31 (2015)  39 - p. 10751-10763 , 2015
Link: https://doi.org/10.1021/..
 
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15

Molecular simulations of myoglobin adsorbed on rutile (110)..:

Yang, Chuan ; Peng, Chunwang ; Zhao, Daohui...
Fluid Phase Equilibria.  362 (2014)  - p. 349-354 , 2014
Link: https://doi.org/10.1016/..
 
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