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Conformation sampling parallel tempering

Another practical limitation in complex applications lies in the fact that, if temperature is used as a control parameter, one needs to worry about the integrity of a system that is heated too much (e.g., water-membrane systems or a protein heated above its denaturation temperature). When issues such as those mentioned above are addressed, parallel tempering can be turned into a powerful and effective means of enhanced conformational sampling for free energies over a range of temperatures for various systems. [Pg.290]

See other pages where Conformation sampling parallel tempering is mentioned: [Pg.76]    [Pg.289]    [Pg.488]    [Pg.317]    [Pg.27]    [Pg.89]    [Pg.4810]    [Pg.104]    [Pg.130]    [Pg.1161]    [Pg.38]    [Pg.108]    [Pg.53]    [Pg.303]   
See also in sourсe #XX -- [ Pg.74 , Pg.76 ]



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Parallel sampling

Parallel tempering

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Temperate

Tempered

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