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Multispectral and molecular simulation of the interaction of human α1-acid glycoprotein with palbociclib
Jiang, Shao-Liang, Wu, Yu-Ting, Chen, Wang-Cai, Huang, Jia-Ping, Chen, Dong, Li, Li, Han, Liang, Shi, Jie-Hua
Published in Biochimica et biophysica acta. General subjects (01.11.2024)
Published in Biochimica et biophysica acta. General subjects (01.11.2024)
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Ozone resistance of three natural antioxidants in solution polymerized styrene-butadiene rubber—Molecular simulation and experimental study
Zhao, Mingyuan, Zhao, Caiwei, Han, Changfeng, zhao, Xiuying, Wu, Youping
Published in Polymer degradation and stability (01.04.2024)
Published in Polymer degradation and stability (01.04.2024)
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Molecular simulation studies of reversed-phase liquid chromatography
Lindsey, Rebecca K., Rafferty, Jake L., Eggimann, Becky L., Siepmann, J. Ilja, Schure, Mark R.
Published in Journal of Chromatography A (26.04.2013)
Published in Journal of Chromatography A (26.04.2013)
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On the mechanism of water adsorption in carbon micropores – A molecular simulation study
Liu, Lumeng, Zeng, Yonghong, Tan, Shiliang Johnathan, Xu, Hui, Do, D.D., Nicholson, D., Liu, Junjie
Published in Chemical engineering journal (Lausanne, Switzerland : 1996) (01.02.2019)
Published in Chemical engineering journal (Lausanne, Switzerland : 1996) (01.02.2019)
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Understanding the sources of mercury release from coal: A combined experimental and molecular simulation study
Wu, Jian, Xie, Wenquan, Tan, Jingqiang, Liu, Lingfu
Published in Journal of hazardous materials (15.10.2023)
Published in Journal of hazardous materials (15.10.2023)
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Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom
Schappals, Michael, Mecklenfeld, Andreas, Kröger, Leif, Botan, Vitalie, Köster, Andreas, Stephan, Simon, García, Edder J, Rutkai, Gabor, Raabe, Gabriele, Klein, Peter, Leonhard, Kai, Glass, Colin W, Lenhard, Johannes, Vrabec, Jadran, Hasse, Hans
Published in Journal of chemical theory and computation (12.09.2017)
Published in Journal of chemical theory and computation (12.09.2017)
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Molecular Simulation of Thermosetting Polymer Hardening: Reactive Events Enabled by Controlled Topology Transfer
Meißner, Robert H, Konrad, Julian, Boll, Benjamin, Fiedler, Bodo, Zahn, Dirk
Published in Macromolecules (24.11.2020)
Published in Macromolecules (24.11.2020)
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A molecular simulation protocol to avoid sampling redundancy and discover new states
Bacci, Marco, Vitalis, Andreas, Caflisch, Amedeo
Published in Biochimica et biophysica acta (01.05.2015)
Published in Biochimica et biophysica acta (01.05.2015)
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Molecular simulation of the high temperature phase behaviour of α-unsubstituted sexithiophene
Tsourtou, Flora D, Skountzos, Emmanuel N, Peroukidis, Stavros D, Mavrantzas, Vlasis G
Published in Soft matter (07.11.2018)
Published in Soft matter (07.11.2018)
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An Efficient Molecular Simulation Methodology for Chemical Reaction Equilibria in Electrolyte Solutions: Application to CO2 Reactive Absorption
Noroozi, Javad, Smith, William R
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.05.2019)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.05.2019)
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Study on the Nanopore Deformation Mechanisms in Shale Oil Reservoir: Insights from the Molecular Simulation
Lei, Zhengdong, Dou, Xiangji, Hong, Sujin, He, Yanfeng, Dai, Jiajun, Zhao, Xinli
Published in ACS omega (12.12.2023)
Published in ACS omega (12.12.2023)
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