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    Protocol

    Conformational Changes in Protein Function

    Conformational changes are the hallmarks of protein dynamics and are often intimately related to protein functions. Molecular dynamics (MD) simulation is a powerful tool to study the time-resolved properties o...

    Haiguang Liu, Shubhra Ghosh Dastidar, Hongxing Lei… in Molecular Modeling of Proteins (2008)

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    Protocol

    Protein Folding and Unfolding by All-Atom Molecular Dynamics Simulations

    Computational protein folding can be classified into pathway and sampling approaches. Here, we use the AMBER simulation package as an example to illustrate the protocols for all-atom molecular simulations of p...

    Hongxing Lei, Yong Duan in Molecular Modeling of Proteins (2008)