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Here is a thread about molecules getting out of their comfort zone... because some chemists thought that would be interesting to explore
As I say in my most recent talks, "molecules are quantum-mechanical three-dimensional objects that wobble a lot..."
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As I say in my most recent talks, "molecules are quantum-mechanical three-dimensional objects that wobble a lot..."
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I also say that "molecules are lazy..." which is to say that, for a myriad of reasons, molecules will tend to stay in their most comfortable conformations (this is a slide from my talk where I talk about pineapples too. it's complicated). [2/6]
![I also say that "molecules are lazy..." which is to say that, for a myriad of reasons, molecules will tend to stay in their most comfortable conformations (this is a slide from my talk where I talk about pineapples too. it's complicated). [2/6]](https://pbs.twimg.com/media/EuSWOvnXYAMCvsO.jpg "I also say that \"molecules are lazy...\" which is to say that, for a myriad of reasons, molecules will tend to stay in their most comfortable conformations (this is a slide from my talk where I talk about pineapples too. it's complicated). [2/6]")
However, sometimes molecular systems should be able to access some "je ne se pas" semi-comfortable conformations. I say should, because they're lazy, so downhill in energy they go. Then we have a situation of these underexplored "dark conformational spaces" [3/6]
![However, sometimes molecular systems should be able to access some "je ne se pas" semi-comfortable conformations. I say should, because they're lazy, so downhill in energy they go. Then we have a situation of these underexplored "dark conformational spaces" [3/6]](https://pbs.twimg.com/media/EuSXb-RXYAATl5I.png "However, sometimes molecular systems should be able to access some \"je ne se pas\" semi-comfortable conformations. I say should, because they're lazy, so downhill in energy they go. Then we have a situation of these underexplored \"dark conformational spaces\" [3/6]")
My good friend and collaborator @DiegoBenDiaz in the amazing group of chemistry philosopher @andrei_yudin decided to shine a light into these "dark spaces" by making macrocycles by tying together amino acid residues. (seriously cool stuff!) [4/6]
Together with the awesome team at the @andrei_yudin group @chemuoft, we explored how and why these macrocycles can visit and stay put in some of those dark conformational spaces. This collaboration was a joy and I can say that we all had lots of fun! [5/6]
So here it goes, now in @NatureChemistry.
I believe this work will open many doors for the exploration of conformation space and molecular properties. What are we missing as chemists for not designing molecules that "misbehave?" Let's find out!
https://www.nature.com/articles/s41557-020-00620-y
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I believe this work will open many doors for the exploration of conformation space and molecular properties. What are we missing as chemists for not designing molecules that "misbehave?" Let's find out!
https://www.nature.com/articles/s41557-020-00620-y
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