The energy minimum of transporting a substrate is obtained, which has the same order as the energy from one ATP hydrolyzed.
给出了排出一个底物所需能量的下限，此下限与水解一个ATP所提供的能量在同一个数量级。
The result discovered that, regarding this kind of large molecular cluster of structure optimization, we can very effectively find the local energy minimum by classical molecular dynamics.
结果表明，对于这种大的分子团簇的结构优化，经典分子动力学能很有效地找到体系局部势能极小值。
The result discovered that, regarding this kind of large molecular cluster of structure optimization, we can very effectively find the local energy minimum by classical molecular dynamics.
结果表明，对于这种大的分子团簇的结构优化，经典分子动力学能很有效地找到体系局部势能极小值。
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