Our paper on AlphaFold-facilitated Markov state modeling of Na+-Pumping NADH-Quinone Oxidoreductase is out. Congrats Seki-kun! He also submitted his PhD thesis today. https://t.co/YprxZBSWGm
Celebrating #BiophysicsWeek T&C partnered with Phase Space Invaders podcast: Robert Best @sonyahans@XuhuiHuangChem
and host @MiWieczor
Episode 32: Driving the Future of Biophysics: What’s Next in Theory and Computation? https://t.co/LD2iuXFz2z
It is amazing to see similar ideas emerge at the same time around the world! Here is our version of “metadynamics meets diffusion-based structure prediction.”
https://t.co/iErjHwyYVH
Metadynamics meets diffusion-based structure prediction: the same trick that drives enhance sampling of MD trajectories can be adapted and applied as steering terms during generation to sample diverse conformations. Seems obvious in hindsight!