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無言969木蟲 (正式寫手)
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[求助]
Autodock使用求助
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求助一下各位做模擬的同學(xué),使用autodock做對接得出的結(jié)果怎樣才算合理或者能接受?吹轿墨I(xiàn)中有一句話這么說的:The redocking was performed with the original ligand, GR24, to evaluate the suitability of the crystal structure and the docking workflow. The results showed that GR24 docks into the catalytic pocket with the same orientation as the cocrystallized GR24.這個(gè)所謂的和redock結(jié)果和原始晶體結(jié)構(gòu)中原配體的朝向一致因而認(rèn)為對接結(jié)果可接受怎么理解呢?如何才能判斷redock結(jié)果和原始晶體結(jié)構(gòu)中原配體的朝向一致。謝謝各位大神,小弟感激不盡! |
新蟲 (初入文壇)
木蟲 (正式寫手)
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