Protein target highlights in <scp>CASP15</scp> : Analysis of models by structure providers
Leila T. Alexander, Janani Durairaj, Andriy Kryshtafovych, Luciano A. Abriata, Yusupha Bayo, Gira Bhabha, Cécile Breyton, Simon G. Caulton, James Chen, Séraphine Degroux, Damian C. Ekiert, Benedikte S. Erlandsen, Lydia Freddolino, Dominic Gilzer, Chris Greening, Jonathan M. Grimes, Rhys Grinter, Manickam Gurusaran, Marcus D. Hartmann, Charlie J. Hitchman, J.R. Keown, Ashleigh Kropp, Petri Kursula, Andrew L. Lovering, Bruno Lemaître, Andrea Lia, Shiheng Liu, Maria Logotheti, Shuze Lu, Sigurbjörn Markússon, Mitchell D. Miller, G. Minasov, Hartmut H. Niemann, Felipe Opazo, G.N. Phillips, Owen R. Davies, Samuel Rommelaere, Mónica Rosas‐Lemus, Pietro Roversi, K.J.F. Satchell, Nathan Smith, Mark A. Wilson, Kuan‐Lin Wu, Xian Xia, Han Xiao, Wenhua Zhang, Z. Hong Zhou, Krzysztof Fidelis, Maya Topf, John Moult, Torsten Schwede
Abstract
We present an in-depth analysis of selected CASP15 targets, focusing on their biological and functional significance. The authors of the structures identify and discuss key protein features and evaluate how effectively these aspects were captured in the submitted predictions. While the overall ability to predict three-dimensional protein structures continues to impress, reproducing uncommon features not previously observed in experimental structures is still a challenge. Furthermore, instances with conformational flexibility and large multimeric complexes highlight the need for novel scoring strategies to better emphasize biologically relevant structural regions. Looking ahead, closer integration of computational and experimental techniques will play a key role in determining the next challenges to be unraveled in the field of structural molecular biology.