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Journal of Molecular Graphics & Modelling|May 6, 2024
Wettability behavior of DTMS modified SiO2: Experimental and molecular dynamics studyChen-Xiang Wang, Ning Wang, Xu-Sheng Li, et al.
Journal of Molecular Graphics & Modelling|April 24, 2024
Mechanistic studies of adsorption and ion exchange of Si(OH)4 molecules on the surface of scoroditesManjiao Chen, Wang Guo, Xinjun Hu, et al.
Journal of Molecular Graphics & Modelling|November 13, 2023
Molecular dynamics simulations of the solubility and conformation change of chitosan grafted polyacrylamide: Impact of grafting rateWei Zhao, Wenjie Zou, Fengyang Liu, et al.
Journal of Molecular Graphics & Modelling|October 19, 2023
Computer-aided accurate calculation of interacted volumes for 3D isosurface point clouds of molecular electrostatic potentialKun Lv, Jin Zhang, Xiaohua Liu, et al.
Journal of Molecular Graphics & Modelling|October 6, 2023
Overcoming class imbalance in drug discovery problems: Graph neural networks and balancing approachesRafael Lopes Almeida, Vinícius Gonçalves Maltarollo, Frederico Gualberto Ferreira Coelho
Journal of Molecular Graphics & Modelling|September 27, 2023
Achieving controllable multifunctionality through layer slidingMubashar Ali, Masood Yousaf, Junaid Munir, et al.
Journal of Molecular Graphics & Modelling|September 18, 2023
Computational simulation on the study of Tacrolimus and its improved dermal retention using Poly(Ԑ-caprolactone) nanocapsulesPaulo Vitor Farago, Guilherme Dos Anjos Camargo, Matheus Benedito Mendes, et al.
Journal of Molecular Graphics & Modelling|October 3, 2024
Evaluation of AlphaFold3 for the fatty acids docking to human fatty acid-binding proteinsKi Hyun Nam
Journal of Molecular Graphics & Modelling|September 18, 2024
Investigation of liquor microstructure (ethanol-water clusters): Molecular dynamics simulation and density functional theoryXinjun Hu, Jinlong Yu, Maolin Jiang, et al.
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