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Chunwang Peng

Observed names: ChunWang Peng, Peng Chunwang, Peng, Chunwang
Institution: XtalPi (China)
ORCID: 0000-0002-2552-6661
Observed ORCID: 0000-0002-2552-6661
OpenAlex ID: A5101781386
High-throughput computational screening of 137953 metal–organic frameworks for membrane separation of a CO 2 /N 2 /CH 4 mixture
2016 · Zhiwei Qiao, Chunwang Peng, et al. · Journal of Materials Chemistry A · 138
Lipase adsorption on different nanomaterials: a multi-scale simulation study
2014 · Daohui Zhao, Chunwang Peng, et al. · Physical Chemistry Chemical Physics · 90
Adsorption of Hydrophobin on Different Self-Assembled Monolayers: The Role of the Hydrophobic Dipole and the Electric Dipole
2014 · Chunwang Peng, Jie Liu, et al. · Langmuir · 84
Molecular Understanding of the Penetration of Functionalized Gold Nanoparticles into Asymmetric Membranes
2016 · Xuebo Quan, Chunwang Peng, et al. · Langmuir · 59
Prediction of the Relative Free Energies of Drug Polymorphs above Zero Kelvin
2020 · Mingjun Yang, Eric Dybeck, et al. · Crystal Growth & Design · 57
A Cloud Computing Platform for Scalable Relative and Absolute Binding Free Energy Predictions: New Opportunities and Challenges for Drug Discovery
2021 · Zhixiong Lin, Junjie Zou, et al. · Journal of Chemical Information and Modeling · 51
Molecular Understanding of Laccase Adsorption on Charged Self-Assembled Monolayers
2017 · Jie Liu, Yun Xie, et al. · The Journal of Physical Chemistry B · 42
Molecular simulations of cytochrome c adsorption on positively charged surfaces: the influence of anion type and concentration
2016 · Chunwang Peng, Jie Liu, et al. · Physical Chemistry Chemical Physics · 41
Structural properties of polymer-brush-grafted gold nanoparticles at the oil–water interface: insights from coarse-grained simulations
2016 · Xuebo Quan, ChunWang Peng, et al. · Soft Matter · 33
Molecular Simulations of Cytochrome c Adsorption on a Bare Gold Surface: Insights for the Hindrance of Electron Transfer
2015 · Chunwang Peng, Jie Liu, et al. · The Journal of Physical Chemistry C · 31
Molecular Simulation Study of Feruloyl Esterase Adsorption on Charged Surfaces: Effects of Surface Charge Density and Ionic Strength
2015 · Jie Liu, Chunwang Peng, et al. · Langmuir · 29
Molecular simulations of myoglobin adsorbed on rutile (110) and (001) surfaces
2013 · Chuan Yang, Chunwang Peng, et al. · Fluid Phase Equilibria · 21
Scaffold Hopping Transformations Using Auxiliary Restraints for Calculating Accurate Relative Binding Free Energies
2021 · Junjie Zou, Zhipeng Li, et al. · Journal of Chemical Theory and Computation · 20
Hit Identification Driven by Combining Artificial Intelligence and Computational Chemistry Methods: A PI5P4K-β Case Study
2023 · Lin Wei, Min Xu, et al. · Journal of Chemical Information and Modeling · 17
Application scenario-oriented molecule generation platform developed for drug discovery
2024 · Lianjun Zheng, Fangjun Shi, et al. · Methods · 7
Adsorption of cytochrome c on different self-assembled monolayers: The role of surface chemistry and charge density
2024 · Shengjiang Yang, Chunwang Peng, et al. · Biointerphases · 3
A Cloud Computing Platform for Scalable Relative and Absolute Binding Free Energy Prediction: New Opportunities and Challenges for Drug Discovery
2020 · Zhixiong Lin, Junjie Zou, et al. · ChemRxiv · 2
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Computer Simulations of Fibronectin Adsorption on Graphene Modified Titanium Dioxide Surfaces
2014 · Chuan Yang, Chunwang Peng, et al. · 化学学报 · 2
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Correction to “A Cloud Computing Platform for Scalable Relative and Absolute Binding Free Energy Prediction: New Opportunities and Challenges for Drug Discovery”
2021 · Zhixiong Lin, Junjie Zou, et al. · Journal of Chemical Information and Modeling · 1
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Integrating Multimodal AI with Encoded Medicinal Knowledge and Physics Simulations: A Unified Platform for Accelerated Drug Discovery from Patent Analysis to Potency Validation
2026 · Huimin Cheng, Yuliang Wu, et al. · Journal of Medicinal Chemistry
Nickel Hexacyanoferrate Electrodes for Asymmetric Membrane Capacitive Deionization
2018 · Chunwang Peng, H.W. Tung, et al. · Tamkang University Institutional Repository (TKUIR)
Co2/n2/ch4混合物の分離膜としての金属‐有機フレームワーク137953種の高スループット計算機スクリーニング
2016 · Qiao Zhiwei, Peng Chunwang, et al. · Journal of Materials Chemistry A
Preparation of High Power Rechargeable Alkaline Zinc-Manganese Dioxide Cells.
1996 · Chunwang Peng, Lei Liu · Dianchi
Works count: 25
Citation count: 728
H-index: 14
I10-index: 14
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