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Our team S.N. Bose National Centre for Basic Sciences introduces PathGennie (just published in JCIM & JCTC Journals), a fast and unbiased computational framework for uncovering rare molecular events such as drug unbinding and protein folding. Instead of using any biased forces or elevated temperatures, PathGennie launches ultrashort unbiased... show more
54,332 görüntüleme • 10 ay önce •via X (Twitter)
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@snbkol @JCIM_JCTC Would be easy to extrapolate to PPI? How two proteins stop to interact?

@snbkol @JCIM_JCTC Unbinding is much easier than binding! However if the final target bound structure is available then PathGennie can always generate a pathway starting from unbound to bound state. We're working on more such complex applications now.

@snbkol @JCIM_JCTC This is supercool, really a big achievement!!! Many congratulations to the team!!!

@snbkol @JCIM_JCTC Brilliant!!! ❤️

@snbkol @JCIM_JCTC I like your video demonstration with really physical insights to me, what software are you using for generating this video. can you share any tips of making this presentation.

@snbkol @JCIM_JCTC We use our own scripts. We'll share the scripts along with tutorials sometime soon. Thanks for your appreciation.

@snbkol @JCIM_JCTC Many congratulations!

@snbkol @JCIM_JCTC very cool

@snbkol @JCIM_JCTC Nice!

@snbkol @JCIM_JCTC eso es un turbo de rutas raras

@snbkol @JCIM_JCTC Understood Do great things for all ❤️ (Genie means something else here maybe?) Unclear

@snbkol @JCIM_JCTC 这速度也太狠了吧

@snbkol @JCIM_JCTC Excellent work. (rt @anunesalves)
