Protein target highlights in CASP15: 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, Peter L. Freddolino, Dominic Gilzer, Chris Greening, Jonathan M. Grimes, Rhys Grinter, Manickam Gurusaran, Marcus D. Hartmann, Charlie J. HitchmanJeremy R. Keown, Ashleigh Kropp, Petri Kursula, Andrew L. Lovering, Bruno Lemaitre, Andrea Lia, Shiheng Liu, Maria Logotheti, Shuze Lu, Sigurbjörn Markússon, Mitchell D. Miller, George Minasov, Hartmut H. Niemann, Felipe Opazo, George N. Phillips Jr, Owen R. Davies, Samuel Rommelaere, Monica Rosas‐Lemus, Pietro Roversi, Karla 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

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract / Description of output

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.

Original languageEnglish
Pages (from-to)1571-1599
Number of pages29
JournalProteins: Structure, Function, and Bioinformatics
Issue number12
Early online date26 Jul 2023
Publication statusPublished - 1 Dec 2023

Keywords / Materials (for Non-textual outputs)

  • CASP
  • cryo-EM
  • protein structure prediction
  • X-ray crystallography


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