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Molecular Simulation Volume 43, 2017 - Issue 13-16: Proceedings of the 4th International Conference on Molecular Simulation
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Articles

Free-energy landscapes of the coupled conformational transition and inclusion processes of altro-cyclodextrins

Tanfeng ZhaoResearch Center for Analytical Sciences, College of Chemistry, Nankai University, Tianjin, P.R. China
,
Xueguang ShaoResearch Center for Analytical Sciences, College of Chemistry, Nankai University, Tianjin, P.R. China;Tianjin Key Laboratory of Molecular Recognition and Biosensing, Tianjin, P.R. China;State Key Laboratory of Medicinal Chemical Biology, Tianjin, P.R. China;Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Tianjin, P.R. China
&
Wensheng CaiResearch Center for Analytical Sciences, College of Chemistry, Nankai University, Tianjin, P.R. China;Tianjin Key Laboratory of Molecular Recognition and Biosensing, Tianjin, P.R. China;Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Tianjin, P.R. ChinaCorrespondence[email protected]
Pages 977-984 | Received 23 Nov 2016, Accepted 16 Feb 2017, Published online: 09 Mar 2017

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Mengyao Miao, Haohao Fu, Hong Zhang, Xueguang Shao, Christophe Chipot & Wensheng Cai. (2021) Avoiding non-equilibrium effects in adaptive biasing force calculations. Molecular Simulation 47:5, pages 390-394.
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Articles from other publishers (4)

Haohao Fu, Xueguang Shao & Wensheng Cai. (2022) Computer-aided design of molecular machines: techniques, paradigms and difficulties. Physical Chemistry Chemical Physics 24:3, pages 1286-1299.
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Bo Gao, Gengxin Wang, Bao Li & Lixin Wu. (2020) Self-Inclusion and Dissociation of a Bridging β-Cyclodextrin Triplet. ACS Omega 5:14, pages 8127-8136.
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An-hui Wang, Zhi-chao Zhang & Guo-hui Li. (2019) Advances in enhanced sampling molecular dynamics simulations for biomolecules. Chinese Journal of Chemical Physics 32:3, pages 277-286.
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Rabindranath Paul & Sandip Paul. (2018) Synergistic host–guest hydrophobic and hydrogen bonding interactions in the complexation between endo-functionalized molecular tube and strongly hydrophilic guest molecules in aqueous solution. Physical Chemistry Chemical Physics 20:24, pages 16540-16550.
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