Conformational flexibility

[Evert Homan]

Hi,

I recently came across your tools, have not tried them yet, but wondered to what extent for example Align-it and Shape-it do take conformational flexibility of the ligands into consideration.

Thanks,

Evert

[Hans De Winter]

Hi Evert,

both tools do not take conformational flexibility into account. If you need this, you shoudl include it yourself by pregenerating many conformations using some other tools.

Kind regards,

Hans

www.silicos-it.com

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