Protein Target Highlights in CASP15: Analysis of Models by Structure Providers

Protein Target Highlights in CASP15: Analysis of Models by Structure Providers. Alexander, L. T., Durairaj, J., Kryshtafovych, A., Abriata, L. A., Bayo, Y., Bhabha, G., Breyton, C., Caulton, S. G., Chen, J., Degroux, S., Ekiert, D. C., Erlandsen, B. S., Freddolino, P. L., Gilzer, D., Greening, C., Grimes, J. M., Grinter, R., Gurusaran, M., Hartmann, M. D., Hitchman, C. J., Keown, J. R., Kropp, A., Kursula, P., Lovering, A. L., Lemaitre, B., Lia, A., Liu, S., Logotheti, M., Lu, S., Markússon, S., Miller, M. D., Minasov, G., Niemann, H. H., Opazo, F., Phillips Jr, G. N., Davies, O. R., Rommelaere, S., Rosas-Lemus, M., Roversi, P., Satchell, K., Smith, N., Wilson, M. A., Wu, K., Xia, X., Xiao, H., Zhang, W., Zhou, Z. H., Fidelis, K., Topf, M., Moult, J., & Schwede, T. Proteins: Structure, Function, and Bioinformatics, 91(12):1571–1599, 2023.
doi abstract bibtex

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.

@article{alexanderProteinTargetHighlights2023,
  title = {Protein Target Highlights in {{CASP15}}: {{Analysis}} of Models by Structure Providers},
  shorttitle = {Protein Target Highlights in {{CASP15}}},
  author = {Alexander, Leila T. and Durairaj, Janani and Kryshtafovych, Andriy and Abriata, Luciano A. and Bayo, Yusupha and Bhabha, Gira and Breyton, C{\'e}cile and Caulton, Simon G. and Chen, James and Degroux, S{\'e}raphine and Ekiert, Damian C. and Erlandsen, Benedikte S. and Freddolino, Peter L. and Gilzer, Dominic and Greening, Chris and Grimes, Jonathan M. and Grinter, Rhys and Gurusaran, Manickam and Hartmann, Marcus D. and Hitchman, Charlie J. and Keown, Jeremy R. and Kropp, Ashleigh and Kursula, Petri and Lovering, Andrew L. and Lemaitre, Bruno and Lia, Andrea and Liu, Shiheng and Logotheti, Maria and Lu, Shuze and Mark{\'u}sson, Sigurbj{\"o}rn and Miller, Mitchell D. and Minasov, George and Niemann, Hartmut H. and Opazo, Felipe and Phillips Jr, George N. and Davies, Owen R. and Rommelaere, Samuel and {Rosas-Lemus}, Monica and Roversi, Pietro and Satchell, Karla and Smith, Nathan and Wilson, Mark A. and Wu, Kuan-Lin and Xia, Xian and Xiao, Han and Zhang, Wenhua and Zhou, Z. Hong and Fidelis, Krzysztof and Topf, Maya and Moult, John and Schwede, Torsten},
  year = {2023},
  journal = {Proteins: Structure, Function, and Bioinformatics},
  volume = {91},
  number = {12},
  pages = {1571--1599},
  issn = {1097-0134},
  doi = {10.1002/prot.26545},
  urldate = {2024-06-13},
  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.},
  langid = {english},
  keywords = {CASP,cryoEM,protein structure prediction,X-ray crystallography},
  file = {C\:\\Users\\shervinnia\\Zotero\\storage\\LTTNLGVN\\Alexander et al. - 2023 - Protein target highlights in CASP15 Analysis of m.pdf;C\:\\Users\\shervinnia\\Zotero\\storage\\4SLVGWMG\\prot.html}
}

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