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Antibody-Antigen Binding Interface Analysis in the Big Data Era.
Reis PBPS, Barletta GP, Gagliardi L, Fortuna S, Soler MA, Rocchia W. Reis PBPS, et al. Among authors: rocchia w. Front Mol Biosci. 2022 Jul 14;9:945808. doi: 10.3389/fmolb.2022.945808. eCollection 2022. Front Mol Biosci. 2022. PMID: 35911958 Free PMC article.
SiteFerret: Beyond Simple Pocket Identification in Proteins.
Gagliardi L, Rocchia W. Gagliardi L, et al. Among authors: rocchia w. J Chem Theory Comput. 2023 Aug 8;19(15):5242-5259. doi: 10.1021/acs.jctc.2c01306. Epub 2023 Jul 20. J Chem Theory Comput. 2023. PMID: 37470784 Free PMC article.
Implicit solvent methods for free energy estimation.
Decherchi S, Masetti M, Vyalov I, Rocchia W. Decherchi S, et al. Among authors: rocchia w. Eur J Med Chem. 2015 Feb 16;91:27-42. doi: 10.1016/j.ejmech.2014.08.064. Epub 2014 Aug 25. Eur J Med Chem. 2015. PMID: 25193298 Free PMC article. Review.
67 results