Re: [OpenGrowth] Any publications or feedback on OpenGrowth?

[Nicolas C. <nic...@gm...>]

Dear Pil,

Sorry for the late reply, and thank you for your interests in OpenGrowth.

Regarding publications, I am not aware of any (yet).

Regarding feedback, we have some. The program has been used in the
Shakhnovich lab for several years. Some interesting molecules were
obtained, however we have always faced a quite high molecular complexity.
In other words, our best hits were complicated to synthesize. If you plan
to use OpenGrowth, my advice is thus either to design relatively small
molecules (MW at most 400 g/mol or so), or use the seed approach (for
example to fill a pocket).

Please let us know if you have other questions.

Best,

Nicolas

Le mar. 14 juil. 2020 à 19:08, Lee, Pil <pi...@me...> a écrit :

> Hi,
>
>
> I ran into the original paper in JMchem and the software recently and am
> very interested in trying this.
>
> I could not find any publications on OpenGrowth since the original
> publication.
>
>
> Does anyone know any publications on the results from using the software
> or any feedback on the program?
>
> Thanks.
>
>
>
>
> Pil H Lee, PhD
>
> Associate Research Scientist
> College of Pharmacy
> University of Michigan
> 428 Church St.
> Ann Arbor, MI 48109-1065
>
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