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Teaching
Experience
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 Chemical Information and
Modeling
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Research Works
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 Computer Simulations of Molecular Machines
and Supramolecular Self-Assembly
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 Computer-Aided Design of Molecular Machines
Molecular Simulations of Cyclodextrin-Based Molecular Devices (Supported by NSFC)
Large Scale
Computer Simulations on Drug Delivery by Cyclodextrin Carriers (Supported by NSFC)
Novel Cyclodextrin-Based Nanocarriers for
Anticancer Therapies (Sino-French Cai Yuanpei
Program)
Computer Simulation
of the Inclusion Behavior of Cyclodextrin and its Application (Supported by NSFC)
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Simulation Methods
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Simulation Methods for Design of
Computer-Aided Molecular Machines
Multiple
Free Energy Calculation Methods
Enhanced
Sampling Methods
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 Publication List:
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1989-1997,
1998, 1999, 2000,
2001, 2002, 2003, 2004,
2005, 2006, 2007, 2008, 2009, 2010, 2011, 2012, 2013, 2014, 2015, 2016, 2017, 2018, 2019, 2020, 2021, 2022, 2023, 2024,
2025,
Books
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