Autodock vina对接中，步骤Generating affinity maps for AutoDock FF的必要性如何？

SunRuikang · 发表于 Post on 2024-6-28 12:43:11

如题，根据Autodock vina文档，“Generating affinity maps for AutoDock FF”这一步是可选的。请问这一步的作用是什么？必要性如何？何种情况下应该使用这一步、何种情况下不必？先前我的对接都没有使用这一步，不太确定合理性。谢谢

student0618 · 发表于 Post on 2024-6-28 16:37:17

Vina 1.2 onwards allows the user to choose from more than one scoring functions.
If you use the Vina scoring function you don't need to do it, as suggested in section 4b of the link you provide:

The step “Generating affinity maps for AutoDock FF” is there for those who use the AD4 scoring function instead of Vina.

SunRuikang · 发表于 Post on 2024-6-29 09:14:47

student0618 发表于 2024-6-28 16:37
Vina 1.2 onwards allows the user to choose from more than one scoring functions.
If you use the Vin ...

Very grateful ; )

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[分子对接] Autodock vina对接中，步骤Generating affinity maps for AutoDock FF的必要性如何？