Happy to share our recent article in JACS Au @ACSPublications !
We performed all-atom MD simulations to reveal the molecular basis of the rotation-direction-dependent mechanism of the inhibitor protein IF1 for mitochondrial ATP synthase.
https://t.co/gfaNipymDV
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
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
Invited by Prof. Taekjip Ha, we present core progress in nanopore single-molecule chemistry in Annual Review of Biophysics—covering pore engineering, modification techniques, and machine learning applications! Please share with anyone interested.https://t.co/FNMuv2daUV
Protein Hunter:拡散モデルの構造hallucination能力を活用したタンパク質設計手法。全X配列→構造生成→MPNN配列設計→再予測のmulti-step diffusionで配列と構造を共最適化。タンパク質・低分子・核酸binder、環状ペプチド、モチーフスキャフォールディング、抗体CDR最適化に対応。
ソースはリプ⬇️
Can we design mutations that predictably bias proteins towards desired conformational states?
Today in @ScienceMagazine, we introduce Conformational Biasing (CB), a simple and scalable computational method that uses contrastive scoring by inverse folding models to identify conformation-biasing mutations.
https://t.co/lbWzHNdMRJ