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Identification of Protein Functional Regions.
Chemphyschem. 2020 Feb 17;21(4):335-347. doi: 10.1002/cphc.201900898. Epub 2020 Jan 16.
Chemphyschem. 2020.
PMID: 31944517
Design of Protein-Protein Binding Sites Suggests a Rationale for Naturally Occurring Contact Areas.
Nerattini F, Tubiana L, Cardelli C, Bianco V, Dellago C, Coluzza I.
Nerattini F, et al.
J Chem Theory Comput. 2019 Feb 12;15(2):1383-1392. doi: 10.1021/acs.jctc.8b00667. Epub 2018 Dec 26.
J Chem Theory Comput. 2019.
PMID: 30537827
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Protein design under competing conditions for the availability of amino acids.
Nerattini F, Tubiana L, Cardelli C, Bianco V, Dellago C, Coluzza I.
Nerattini F, et al.
Sci Rep. 2020 Feb 14;10(1):2684. doi: 10.1038/s41598-020-59401-9.
Sci Rep. 2020.
PMID: 32060385
Free PMC article.
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The role of directional interactions in the designability of generalized heteropolymers.
Cardelli C, Bianco V, Rovigatti L, Nerattini F, Tubiana L, Dellago C, Coluzza I.
Cardelli C, et al. Among authors: nerattini f.
Sci Rep. 2017 Jul 10;7(1):4986. doi: 10.1038/s41598-017-04720-7.
Sci Rep. 2017.
PMID: 28694466
Free PMC article.
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Author Correction: The role of directional interactions in the designability of generalized heteropolymers.
Cardelli C, Bianco V, Rovigatti L, Nerattini F, Tubiana L, Dellago C, Coluzza I.
Cardelli C, et al. Among authors: nerattini f.
Sci Rep. 2018 Mar 12;8(1):4592. doi: 10.1038/s41598-018-22649-3.
Sci Rep. 2018.
PMID: 29531260
Free PMC article.
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II. Dissociation free energies in drug-receptor systems via nonequilibrium alchemical simulations: application to the FK506-related immunophilin ligands.
Nerattini F, Chelli R, Procacci P.
Nerattini F, et al.
Phys Chem Chem Phys. 2016 Jun 1;18(22):15005-18. doi: 10.1039/c5cp05521k.
Phys Chem Chem Phys. 2016.
PMID: 27193181
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