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Sneak preview for the die-hards still persevering with this increasingly weird site... a little more work needed at the front end, but I've finally gotten around to implementing soft-core nonbonded potentials in ISOLDE. Will be much much easier to recover from severe clashes!
14,378 次观看 • 3 年前 •via X (Twitter)
7 条评论

Tom Marlovits3 年前
Fantastic!

Felipe Merino 🇨🇱 🇩🇪3 年前
That's very clever, super cool!

Dominik3 年前
Looks amazing!

Alex Klotz3 年前
CAN BENZENE RINGS LINK LIKE THAT?

Tristan Croll3 年前
In reality? No. In MD, however... if you start with a bad enough clash, then you can get this sort of weirdness (because the short-range van der Waals potential beats bond strength by orders of magnitude). Can also cause energy minimisation to fail entirely...

Thibault Tubiana3 年前
I'm amazed everytime you show a new ISOLDE Feature... This will be SO usefull, especially with my multimeric alphafold models ahahah 🤣

Jan Binovsky3 年前
yes yes yes! Thank you for your hard work 🙏

