arXiv:2608. 16094v1 Announce Type: new Abstract: Accurate protein structure prediction is fundamental to structural biology because protein structure underlies molecular function and provides a basis for mechanistic interpretation.
By Wengan He, Yongsheng Luo, Lihong Jiang, Wenhui Xu, Yu Li
arXiv:2602. 06020v3 Announce Type: replace Abstract: How do protein structure prediction models fold proteins?
By Kevin Lu, Jannik Brinkmann, Stefan Huber, Aaron Mueller, Yonatan Belinkov, David Bau, Chris Wendler
arXiv:2606. 05474v1 Announce Type: cross Abstract: Protein binder design has largely optimized for affinity alone, leaving conformational selectivity unaddressed: for allosteric targets such as kinases, nuclear receptors, and GPCRs, a binder that engages both active and inactive states provides no functional specificity regardless of how tightly it binds.
By Hanqun Cao, Zachary Quinn, Aastha Pal, Sumi Kimura, Jingjie Zhang, Pheng Ann Heng, Pranam Chatterjee
arXiv:2606. 14217v1 Announce Type: new Abstract: Accurate prediction of protein-ligand binding affinity is essential for structure-based drug discovery.
By Peng-Fei Sun, Chuan-Xian Ren, Hong Yan
arXiv:2602. 24007v3 Announce Type: replace-cross Abstract: Protein function relies on dynamic conformational ensembles, yet current generative models like AlphaFold3 often fail to produce ensembles that match experimental data.
By Advaith Maddipatla, Anar Rzayev, Marco Pegoraro, Martin Pacesa, Paul Schanda, Ailie Marx, Sanketh Vedula, Alex M. Bronstein
arXiv:2504. 02839v2 Announce Type: replace-cross Abstract: Proteins move and deform to ensure their biological functions.
By Valentin Lombard, Julien Nguyen Van, Sergei Grudinin, Elodie Laine