Unconstrained generation of synthetic antibody-antigen structures to guide machine learning methodology for antibody specificity prediction

Philippe A. Robert, Rahmad Akbar, Robert Frank, Milena Pavlovic, Michael Widrich, Igor Snapkov, Andrei Slabodkin, Maria Chernigovskaya, Lonneke Scheffer, Eva Smorodina, Puneet Rawat, Brij Bhushan Mehta, Mai Ha Vu, Ingvild Frøberg Mathisen, Aurél Prósz, Krzysztof Abram, Alex Olar, Enkelejda Miho, Dag Trygve Tryslew Haug, Fridtjof Lund-Johansen, Sepp Hochreiter, Ingrid Hobæk Haff, Günter Klambauer, Geir Kjetil Sandve, Victor Greiff. Unconstrained generation of synthetic antibody-antigen structures to guide machine learning methodology for antibody specificity prediction. Nat. Comput. Sci., 2(12):845-865, 2022. [doi]

@article{RobertAFPWSSCSS22,
  title = {Unconstrained generation of synthetic antibody-antigen structures to guide machine learning methodology for antibody specificity prediction},
  author = {Philippe A. Robert and Rahmad Akbar and Robert Frank and Milena Pavlovic and Michael Widrich and Igor Snapkov and Andrei Slabodkin and Maria Chernigovskaya and Lonneke Scheffer and Eva Smorodina and Puneet Rawat and Brij Bhushan Mehta and Mai Ha Vu and Ingvild Frøberg Mathisen and Aurél Prósz and Krzysztof Abram and Alex Olar and Enkelejda Miho and Dag Trygve Tryslew Haug and Fridtjof Lund-Johansen and Sepp Hochreiter and Ingrid Hobæk Haff and Günter Klambauer and Geir Kjetil Sandve and Victor Greiff},
  year = {2022},
  doi = {10.1038/s43588-022-00372-4},
  url = {https://doi.org/10.1038/s43588-022-00372-4},
  researchr = {https://researchr.org/publication/RobertAFPWSSCSS22},
  cites = {0},
  citedby = {0},
  journal = {Nat. Comput. Sci.},
  volume = {2},
  number = {12},
  pages = {845-865},
}