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

Author:

Zhao Tanfeng1,Shao Xueguang1234,Cai Wensheng124

Affiliation:

1. Research Center for Analytical Sciences, College of Chemistry, Nankai University, Tianjin, P.R. China

2. Tianjin Key Laboratory of Molecular Recognition and Biosensing, Tianjin, P.R. China

3. State Key Laboratory of Medicinal Chemical Biology, Tianjin, P.R. China

4. Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Tianjin, P.R. China

Funder

Nankai University

National Natural Science Foundation of China

Ph.D. Candidate Research Innovation Fund of Nankai University

Publisher

Informa UK Limited

Subject

Condensed Matter Physics,General Materials Science,General Chemical Engineering,Modelling and Simulation,Information Systems,General Chemistry

Cited by 6 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献

1. Enhanced sampling;Chemical Theory and Multiscale Simulation in Biomolecules;2024

2. Computer-aided design of molecular machines: techniques, paradigms and difficulties;Physical Chemistry Chemical Physics;2022

3. Avoiding non-equilibrium effects in adaptive biasing force calculations;Molecular Simulation;2020-06-04

4. Self-Inclusion and Dissociation of a Bridging β-Cyclodextrin Triplet;ACS Omega;2020-03-31

5. Advances in enhanced sampling molecular dynamics simulations for biomolecules;Chinese Journal of Chemical Physics;2019-06

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