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Modeling Protein-Glycan Interactions with HADDOCK.
Ranaudo A, Giulini M, Pelissou Ayuso A, Bonvin AMJJ. Ranaudo A, et al. Among authors: bonvin amjj. J Chem Inf Model. 2024 Oct 14;64(19):7816-7825. doi: 10.1021/acs.jcim.4c01372. Epub 2024 Oct 3. J Chem Inf Model. 2024. PMID: 39360946 Free PMC article.
Predicting binding events in very flexible, allosteric, multi-domain proteins.
Basciu A, Athar M, Kurt H, Neville C, Malloci G, Muredda FC, Bosin A, Ruggerone P, Bonvin AMJJ, Vargiu AV. Basciu A, et al. Among authors: bonvin amjj. bioRxiv [Preprint]. 2024 Nov 10:2024.06.02.597018. doi: 10.1101/2024.06.02.597018. bioRxiv. 2024. PMID: 38895346 Free PMC article. Preprint.
The HADDOCK2.4 web server for integrative modeling of biomolecular complexes.
Honorato RV, Trellet ME, Jiménez-García B, Schaarschmidt JJ, Giulini M, Reys V, Koukos PI, Rodrigues JPGLM, Karaca E, van Zundert GCP, Roel-Touris J, van Noort CW, Jandová Z, Melquiond ASJ, Bonvin AMJJ. Honorato RV, et al. Among authors: bonvin amjj. Nat Protoc. 2024 Nov;19(11):3219-3241. doi: 10.1038/s41596-024-01011-0. Epub 2024 Jun 17. Nat Protoc. 2024. PMID: 38886530 Review.
IHMCIF: An Extension of the PDBx/mmCIF Data Standard for Integrative Structure Determination Methods.
Vallat B, Webb BM, Westbrook JD, Goddard TD, Hanke CA, Graziadei A, Peisach E, Zalevsky A, Sagendorf J, Tangmunarunkit H, Voinea S, Sekharan M, Yu J, Bonvin AAMJJ, DiMaio F, Hummer G, Meiler J, Tajkhorshid E, Ferrin TE, Lawson CL, Leitner A, Rappsilber J, Seidel CAM, Jeffries CM, Burley SK, Hoch JC, Kurisu G, Morris K, Patwardhan A, Velankar S, Schwede T, Trewhella J, Kesselman C, Berman HM, Sali A. Vallat B, et al. Among authors: bonvin aamjj. J Mol Biol. 2024 Sep 1;436(17):168546. doi: 10.1016/j.jmb.2024.168546. Epub 2024 Mar 18. J Mol Biol. 2024. PMID: 38508301 Free PMC article.
297 results