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adaptive sampling
Adaptive sampling is a technique used in computational molecular biology to efficiently simulate protein folding.
==Background==
Proteins spend a large portion;– nearly 96% in some cases〔 – of their folding time "waiting" in various thermodynamic free energy minima. Consequently, a straightforward simulation of this process would spend a great deal of computation to this state, with the transitions between the states – the aspects of protein folding of greater scientific interest – taking place only rarely.〔 Adaptive sampling exploits this property to simulate the protein's phase space in between these states. Using adaptive sampling, molecular simulations that previously would have taken decades can be performed in a matter of weeks.〔
抄文引用元・出典: フリー百科事典『 ウィキペディア（Wikipedia）』
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