science π¬ New method helps predict protein shape changes better
Researchers developed a novel sampling scheme, AF3-ReD, to overcome limitations in AlphaFold3. This work was done by a team at IMS and Graduate University for Advanced Studies, SOKENDAI. The method introduces a repulsive force between predicted structures and is expected to improve drug design applications. This allows for the prediction of multiple conformational states, unlike the default single conformation prediction. The results of this enhanced sampling technique are set to be published in JACS Au. π§¬