Publications
Work in ZUST
(18) Qu Chen*, Jianping Zhou, Rong Sun, Carbon Nanotube Loading Strategies for Peptide Drugs: Insights from Molecular Dynamics Simulations (submitted).
(17) Lu Wang, Yifeng Zhou, Qu Chen*, AMMVF-DTI: A Novel Model Predicting Drug-Target Interactions Based on Attention Mechanism and Multi-View Fusion, Int. J. Mol. Sci., 2023, 24, 14142. PDF
(16) Qu Chen*, Jianping Zhou, Investigating the Validity of the Bosanquet Equation for Predicting the Self-diffusivities of Fluids inside Nanotubes Using Equilibrium Molecular Dynamics Simulations, AIP Adv., 2023, 13, 025338. PDF
(15) Lijun Liang, Hanxing Zhou, Jia-chen Li, Qu Chen, Linli Zhu*, Hao Ren, Data-Driven Design of Nanopore Graphene for Water Desalination, J. Phys. Chem. C 2021, 125, 50, 27685–27692. PDF
(14) Cai Yao, Zhengzhong Kang, Bin Yu, Qu Chen, Yingchun Liu, Qi Wang*, All-Factor Analysis and Correlations on the Transmembrane Process for Arginine-Rich Cell-Penetrating Peptides, Langmuir, 2019, 35(28), 9286-9296. PDF
(13) Xiaoyu Han*, Can Ye, Fenfen Chen, Qu Chen, Yongjiang Wang, Xiaofei Zeng, A Highly Enantioselective Friedel-Crafts Reaction of 3,5-dimethoxylphenol with Nitroolefins Mediated by a Bifunctional Quinine Derived Thiourea Catalyst, Org. Biomol. Chem., 2017, 15(16): 3401-3407. PDF
(12) Baojian Liu*, Yong Peng, Qu Chen, Adsorption of N/S-Heteroaromatic Compounds from Fuels by Functionalized MIL-101(Cr) Metal-Organic Framework: The Impact of Surface Functional Groups, Energy Fuels, 2016, 30(7): 5593-5600. PDF
(11) Debing Li, Wei Hu, Junqiao Zhang, Hui Shi, Qu Chen, Tianyang Sun, Lijun Liang, Qi Wang*, Separation of Hydrogen Gas from Coal Gas by Graphene Nanopores, J. Phys. Chem. C, 2015, 119(45): 25559-25565. PDF
Work in TUD
(10) Qu Chen, Mahinder Ramdin, Thijs J. H. Vlugt*, Solubilities of CO2, CH4, C2H6, CO, H2, N2, N2O, and H2S in Commercial Physical Solvents from Monte Carlo Simulations, Mol. Simulat., 2023, 49: 1341-1349. PDF
(9) Mahinder Ramdin, Qu Chen, Sayee P. Balaji, Jose M. Vicent-Luna, Ariana Torres-Knoop, David Dubbledam, Sofia Calero, Theo. W. de Loo, Thijs J. H. Vlugt*, Solubilities of CO2, CH4, C2H6, and SO2 in Ionic Liquids and Selexol from Monte Carlo Simulations, J. Comput. Sci., 2016, 15: 74-80. PDF
(8) Mahinder Ramdin, Sayee P. Balaji, Jose M. Vicent-Luna, Ariana Torres-Knoop, Qu Chen, David Dubbledam, Sofia Calero, Theo W. de Loo, Thijs J. H. Vlugt*, Computing Bubble-Points of CO2/CH4 Gas Mixtures in Ionic Liquids from Monte Carlo Simulations, Fluid Phase Equilib., 2016, 418: 100-107. PDF
(7) Qu Chen, Sayee P. Balaji, Mahinder Ramdin, Juan. J. Gutiérrez-Sevillano, Andre Bardow, Earl Goetheer, Thijs J. H. Vlugt*, Validation of CO2/N2O Analogy Using Molecular Simulation, Ind. Eng. Chem. Res., 2014, 53(46): 18081-18090. PDF
Work in ZJU
(6) Qu Chen*, Lijun Liang, Zhisen Zhang, Qi Wang, Release of an Encapsulated Peptide from Carbon Nanotubes Driven by Electric Fields: A Molecular Dynamics Study, ACS Omega, 2021, 6 (41): 27485-27490. PDF
(5) Qu Chen, Qi Wang*, Yingchun Liu, Tao Wu, The Effect of Hydrogen Bonds on Diffusion Mechanism of Water inside Single-Walled Carbon Nanotubes, J. Chem. Phys, 2014, 140: 214507. PDF
(4) Qu Chen, Josh D. Moore, Yingchun Liu, Thomas J. Roussel, Qi Wang*, Tao Wu, Keith E. Gubbins, Transition from Single-file to Fickian Diffusion for Binary Mixtures in Single-walled Carbon Nanotubes, J. Chem. Phys., 2010,133: 094501. PDF
(3) Qu Chen, Qi Wang*, Yingchun Liu, Tao Wu, Yu Kang, Josh D. Moore, Keith E. Gubbins. Energetics Investigation on Encapsulation of Protein/Peptide Drugs in Carbon Nanotubes, J. Chem. Phys., 2009, 131: 015101. PDF
(2) Yu Kang, Qi Wang*, Yingchun Liu, Tao Wu, Qu Chen, Wenjun Guan, Dynamic Mechanism of Collagen-like Peptide Encapsulated into Carbon Nanotubes, J. Phys. Chem. B, 2008, 112(15): 4801. PDF
(1) Qingyin Wu*, Qu Chen, Xiaoqing Cai, Jianming Wang, Jianqing Zhang, Preparation and Conductivity of Solid High-proton Conductor Silica Gel Containing 80 wt.% Decatungstodivanadogermanic Acid, Materials Letters, 2007, 61(3): 663. PDF