IsoDDE級のco-folding精度に迫れるかデータ・モデル・推論計算のどこをスケールさせると得られるかを明らかするために構造予測を単独の終点ではなく、将来のde novo designやaffinity estimationへ拡張可能な構造推論レイヤーとして位置づけたOpenDDEが提案されました
ソースはリプ🔽
ColabReaction: Accelerating Transition State Searches with Machine Learning Potentials on Google Colaboratory
https://t.co/1tRl4zv4bG
J. Chem. Inf. Model. October 28, 2025
The Ewald Prize recognizes outstanding contributions to the science of crystallography. Nominations for the Ewald Prize for 2026 are now being accepted. @IUCr
https://t.co/HpvgZ0r1oA
A new era of sugar substitutes may be on the horizon.
A groundbreaking study revealed how the human sweet receptor (TAS1R2+3) binds sucralose and aspartame through a shared pocket.
This could guide the design of better artificial sweeteners.