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Determination of Protein Structural Ensembles by Hybrid-Resolution SAXS Restrained Molecular Dynamics.

Paissoni C, Jussupow A, Camilloni C.

J Chem Theory Comput. 2020 Mar 11. doi: 10.1021/acs.jctc.9b01181. [Epub ahead of print]


Structural Insight into IAPP-Derived Amyloid Inhibitors and Their Mechanism of Action.

Niu Z, Prade E, Malideli E, Hille K, Jussupow A, Mideksa YG, Yan LM, Qian C, Fleisch M, Messias AC, Sarkar R, Sattler M, Lamb DC, Feige MJ, Camilloni C, Kapurniotu A, Reif B.

Angew Chem Int Ed Engl. 2020 Mar 27;59(14):5771-5781. doi: 10.1002/anie.201914559. Epub 2020 Jan 28.


Cryo-EM Structures of Azospirillum brasilense Glutamate Synthase in Its Oligomeric Assemblies.

Swuec P, Chaves-Sanjuan A, Camilloni C, Vanoni MA, Bolognesi M.

J Mol Biol. 2019 Nov 8;431(22):4523-4526. doi: 10.1016/j.jmb.2019.08.011. Epub 2019 Aug 29.


Biochemical and biophysical comparison of human and mouse beta-2 microglobulin reveals the molecular determinants of low amyloid propensity.

Achour A, Broggini L, Han X, Sun R, Santambrogio C, Buratto J, Visentin C, Barbiroli A, De Luca CMG, Sormanni P, Moda F, De Simone A, Sandalova T, Grandori R, Camilloni C, Ricagno S.

FEBS J. 2020 Feb;287(3):546-560. doi: 10.1111/febs.15046. Epub 2019 Aug 28.


A Practical Guide to the Simultaneous Determination of Protein Structure and Dynamics Using Metainference.

Löhr T, Camilloni C, Bonomi M, Vendruscolo M.

Methods Mol Biol. 2019;2022:313-340. doi: 10.1007/978-1-4939-9608-7_13.


Cryo-EM structure of cardiac amyloid fibrils from an immunoglobulin light chain AL amyloidosis patient.

Swuec P, Lavatelli F, Tasaki M, Paissoni C, Rognoni P, Maritan M, Brambilla F, Milani P, Mauri P, Camilloni C, Palladini G, Merlini G, Ricagno S, Bolognesi M.

Nat Commun. 2019 Mar 20;10(1):1269. doi: 10.1038/s41467-019-09133-w.


A superposition free method for protein conformational ensemble analyses and local clustering based on a differential geometry representation of backbone.

da Silva Neto AM, Silva SR, Vendruscolo M, Camilloni C, Montalvão RW.

Proteins. 2019 Apr;87(4):302-312. doi: 10.1002/prot.25652. Epub 2019 Feb 5.


A structurally heterogeneous transition state underlies coupled binding and folding of disordered proteins.

Karlsson E, Andersson E, Dogan J, Gianni S, Jemth P, Camilloni C.

J Biol Chem. 2019 Jan 25;294(4):1230-1239. doi: 10.1074/jbc.RA118.005854. Epub 2018 Dec 4.


The Antibody Light-Chain Linker Regulates Domain Orientation and Amyloidogenicity.

Weber B, Hora M, Kazman P, Göbl C, Camilloni C, Reif B, Buchner J.

J Mol Biol. 2018 Dec 7;430(24):4925-4940. doi: 10.1016/j.jmb.2018.10.024. Epub 2018 Nov 8.


Systematic mapping of free energy landscapes of a growing filamin domain during biosynthesis.

Waudby CA, Wlodarski T, Karyadi ME, Cassaignau AME, Chan SHS, Wentink AS, Schmidt-Engler JM, Camilloni C, Vendruscolo M, Cabrita LD, Christodoulou J.

Proc Natl Acad Sci U S A. 2018 Sep 25;115(39):9744-9749. doi: 10.1073/pnas.1716252115. Epub 2018 Sep 10.


Folding Mechanism of the SH3 Domain from Grb2.

Troilo F, Bonetti D, Camilloni C, Toto A, Longhi S, Brunori M, Gianni S.

J Phys Chem B. 2018 Dec 13;122(49):11166-11173. doi: 10.1021/acs.jpcb.8b06320. Epub 2018 Aug 23.


Determination of the conformational states of strychnine in solution using NMR residual dipolar couplings in a tensor-free approach.

Tomba G, Camilloni C, Vendruscolo M.

Methods. 2018 Sep 15;148:4-8. doi: 10.1016/j.ymeth.2018.07.005. Epub 2018 Jul 21.


Molecular dynamics ensemble refinement of the heterogeneous native state of NCBD using chemical shifts and NOEs.

Papaleo E, Camilloni C, Teilum K, Vendruscolo M, Lindorff-Larsen K.

PeerJ. 2018 Jul 4;6:e5125. doi: 10.7717/peerj.5125. eCollection 2018.


Structural basis for terminal loop recognition and stimulation of pri-miRNA-18a processing by hnRNP A1.

Kooshapur H, Choudhury NR, Simon B, Mühlbauer M, Jussupow A, Fernandez N, Jones AN, Dallmann A, Gabel F, Camilloni C, Michlewski G, Caceres JF, Sattler M.

Nat Commun. 2018 Jun 26;9(1):2479. doi: 10.1038/s41467-018-04871-9.


A method for partitioning the information contained in a protein sequence between its structure and function.

Possenti A, Vendruscolo M, Camilloni C, Tiana G.

Proteins. 2018 Sep;86(9):956-964. doi: 10.1002/prot.25527.


An implementation of the maximum-caliber principle by replica-averaged time-resolved restrained simulations.

Capelli R, Tiana G, Camilloni C.

J Chem Phys. 2018 May 14;148(18):184114. doi: 10.1063/1.5030339.


Conformational dynamics in crystals reveal the molecular bases for D76N beta-2 microglobulin aggregation propensity.

Le Marchand T, de Rosa M, Salvi N, Sala BM, Andreas LB, Barbet-Massin E, Sormanni P, Barbiroli A, Porcari R, Sousa Mota C, de Sanctis D, Bolognesi M, Emsley L, Bellotti V, Blackledge M, Camilloni C, Pintacuda G, Ricagno S.

Nat Commun. 2018 Apr 25;9(1):1658. doi: 10.1038/s41467-018-04078-y.


The PHR Family: The Role of Extracellular Transglycosylases in Shaping Candida albicans Cells.

Popolo L, Degani G, Camilloni C, Fonzi WA.

J Fungi (Basel). 2017 Oct 29;3(4). pii: E59. doi: 10.3390/jof3040059. Review.


Stabilization and structural analysis of a membrane-associated hIAPP aggregation intermediate.

Rodriguez Camargo DC, Korshavn KJ, Jussupow A, Raltchev K, Goricanec D, Fleisch M, Sarkar R, Xue K, Aichler M, Mettenleiter G, Walch AK, Camilloni C, Hagn F, Reif B, Ramamoorthy A.

Elife. 2017 Nov 17;6. pii: e31226. doi: 10.7554/eLife.31226.


MobiDB 3.0: more annotations for intrinsic disorder, conformational diversity and interactions in proteins.

Piovesan D, Tabaro F, Paladin L, Necci M, Micetic I, Camilloni C, Davey N, Dosztányi Z, Mészáros B, Monzon AM, Parisi G, Schad E, Sormanni P, Tompa P, Vendruscolo M, Vranken WF, Tosatto SCE.

Nucleic Acids Res. 2018 Jan 4;46(D1):D471-D476. doi: 10.1093/nar/gkx1071.


Integrative structural and dynamical biology with PLUMED-ISDB.

Bonomi M, Camilloni C.

Bioinformatics. 2017 Dec 15;33(24):3999-4000. doi: 10.1093/bioinformatics/btx529.


Sequence Specificity in the Entropy-Driven Binding of a Small Molecule and a Disordered Peptide.

Heller GT, Aprile FA, Bonomi M, Camilloni C, De Simone A, Vendruscolo M.

J Mol Biol. 2017 Sep 1;429(18):2772-2779. doi: 10.1016/j.jmb.2017.07.016. Epub 2017 Jul 22.


Metadynamic metainference: Convergence towards force field independent structural ensembles of a disordered peptide.

Löhr T, Jussupow A, Camilloni C.

J Chem Phys. 2017 Apr 28;146(16):165102. doi: 10.1063/1.4981211.


Structural Characterization of the Early Events in the Nucleation-Condensation Mechanism in a Protein Folding Process.

Kukic P, Pustovalova Y, Camilloni C, Gianni S, Korzhnev DM, Vendruscolo M.

J Am Chem Soc. 2017 May 24;139(20):6899-6910. doi: 10.1021/jacs.7b01540. Epub 2017 May 10.


Emergence and evolution of an interaction between intrinsically disordered proteins.

Hultqvist G, Åberg E, Camilloni C, Sundell GN, Andersson E, Dogan J, Chi CN, Vendruscolo M, Jemth P.

Elife. 2017 Apr 11;6. pii: e16059. doi: 10.7554/eLife.16059.


Simultaneous quantification of protein order and disorder.

Sormanni P, Piovesan D, Heller GT, Bonomi M, Kukic P, Camilloni C, Fuxreiter M, Dosztanyi Z, Pappu RV, Babu MM, Longhi S, Tompa P, Dunker AK, Uversky VN, Tosatto SC, Vendruscolo M.

Nat Chem Biol. 2017 Mar 22;13(4):339-342. doi: 10.1038/nchembio.2331. No abstract available.


Networks of Dynamic Allostery Regulate Enzyme Function.

Holliday MJ, Camilloni C, Armstrong GS, Vendruscolo M, Eisenmesser EZ.

Structure. 2017 Feb 7;25(2):276-286. doi: 10.1016/j.str.2016.12.003. Epub 2017 Jan 12.


Simultaneous NMR characterisation of multiple minima in the free energy landscape of an RNA UUCG tetraloop.

Borkar AN, Vallurupalli P, Camilloni C, Kay LE, Vendruscolo M.

Phys Chem Chem Phys. 2017 Jan 25;19(4):2797-2804. doi: 10.1039/c6cp08313g.


Principles of protein structural ensemble determination.

Bonomi M, Heller GT, Camilloni C, Vendruscolo M.

Curr Opin Struct Biol. 2017 Feb;42:106-116. doi: 10.1016/ Epub 2017 Jan 5. Review.


Properties of low-dimensional collective variables in the molecular dynamics of biopolymers.

Meloni R, Camilloni C, Tiana G.

Phys Rev E. 2016 Nov;94(5-1):052406. Epub 2016 Nov 14.


Metadynamic metainference: Enhanced sampling of the metainference ensemble using metadynamics.

Bonomi M, Camilloni C, Vendruscolo M.

Sci Rep. 2016 Aug 26;6:31232. doi: 10.1038/srep31232.


Towards a structural biology of the hydrophobic effect in protein folding.

Camilloni C, Bonetti D, Morrone A, Giri R, Dobson CM, Brunori M, Gianni S, Vendruscolo M.

Sci Rep. 2016 Jul 27;6:28285. doi: 10.1038/srep28285.


Structure of a low-population binding intermediate in protein-RNA recognition.

Borkar AN, Bardaro MF Jr, Camilloni C, Aprile FA, Varani G, Vendruscolo M.

Proc Natl Acad Sci U S A. 2016 Jun 28;113(26):7171-6. doi: 10.1073/pnas.1521349113. Epub 2016 Jun 10.


Rational design of mutations that change the aggregation rate of a protein while maintaining its native structure and stability.

Camilloni C, Sala BM, Sormanni P, Porcari R, Corazza A, De Rosa M, Zanini S, Barbiroli A, Esposito G, Bolognesi M, Bellotti V, Vendruscolo M, Ricagno S.

Sci Rep. 2016 May 6;6:25559. doi: 10.1038/srep25559.


Structural characterization of the interaction of α-synuclein nascent chains with the ribosomal surface and trigger factor.

Deckert A, Waudby CA, Wlodarski T, Wentink AS, Wang X, Kirkpatrick JP, Paton JF, Camilloni C, Kukic P, Dobson CM, Vendruscolo M, Cabrita LD, Christodoulou J.

Proc Natl Acad Sci U S A. 2016 May 3;113(18):5012-7. doi: 10.1073/pnas.1519124113. Epub 2016 Apr 18.


Identification and Structural Characterization of an Intermediate in the Folding of the Measles Virus X Domain.

Bonetti D, Camilloni C, Visconti L, Longhi S, Brunori M, Vendruscolo M, Gianni S.

J Biol Chem. 2016 May 13;291(20):10886-92. doi: 10.1074/jbc.M116.721126. Epub 2016 Mar 21.


A structural ensemble of a ribosome-nascent chain complex during cotranslational protein folding.

Cabrita LD, Cassaignau AME, Launay HMM, Waudby CA, Wlodarski T, Camilloni C, Karyadi ME, Robertson AL, Wang X, Wentink AS, Goodsell L, Woolhead CA, Vendruscolo M, Dobson CM, Christodoulou J.

Nat Struct Mol Biol. 2016 Apr;23(4):278-285. doi: 10.1038/nsmb.3182. Epub 2016 Feb 29.


Molecular Recognition by Templated Folding of an Intrinsically Disordered Protein.

Toto A, Camilloni C, Giri R, Brunori M, Vendruscolo M, Gianni S.

Sci Rep. 2016 Feb 25;6:21994. doi: 10.1038/srep21994.


Metainference: A Bayesian inference method for heterogeneous systems.

Bonomi M, Camilloni C, Cavalli A, Vendruscolo M.

Sci Adv. 2016 Jan 22;2(1):e1501177. doi: 10.1126/sciadv.1501177. eCollection 2016 Jan.


Using Pseudocontact Shifts and Residual Dipolar Couplings as Exact NMR Restraints for the Determination of Protein Structural Ensembles.

Camilloni C, Vendruscolo M.

Biochemistry. 2015 Dec 29;54(51):7470-6. doi: 10.1021/acs.biochem.5b01138. Epub 2015 Dec 17.


Structural Insights into the Calcium-Mediated Allosteric Transition in the C-Terminal Domain of Calmodulin from Nuclear Magnetic Resonance Measurements.

Kukic P, Lundström P, Camilloni C, Evenäs J, Akke M, Vendruscolo M.

Biochemistry. 2016 Jan 12;55(1):19-28. doi: 10.1021/acs.biochem.5b00961. Epub 2015 Dec 30.


Mapping the Protein Fold Universe Using the CamTube Force Field in Molecular Dynamics Simulations.

Kukic P, Kannan A, Dijkstra MJ, Abeln S, Camilloni C, Vendruscolo M.

PLoS Comput Biol. 2015 Oct 27;11(10):e1004435. doi: 10.1371/journal.pcbi.1004435. eCollection 2015 Oct.


The inverted free energy landscape of an intrinsically disordered peptide by simulations and experiments.

Granata D, Baftizadeh F, Habchi J, Galvagnion C, De Simone A, Camilloni C, Laio A, Vendruscolo M.

Sci Rep. 2015 Oct 26;5:15449. doi: 10.1038/srep15449.


Dynamic binding mode of a Synaptotagmin-1-SNARE complex in solution.

Brewer KD, Bacaj T, Cavalli A, Camilloni C, Swarbrick JD, Liu J, Zhou A, Zhou P, Barlow N, Xu J, Seven AB, Prinslow EA, Voleti R, Häussinger D, Bonvin AM, Tomchick DR, Vendruscolo M, Graham B, Südhof TC, Rizo J.

Nat Struct Mol Biol. 2015 Jul;22(7):555-64. doi: 10.1038/nsmb.3035. Epub 2015 Jun 1.


Structure and Dynamics of GeoCyp: A Thermophilic Cyclophilin with a Novel Substrate Binding Mechanism That Functions Efficiently at Low Temperatures.

Holliday MJ, Camilloni C, Armstrong GS, Isern NG, Zhang F, Vendruscolo M, Eisenmesser EZ.

Biochemistry. 2015 May 26;54(20):3207-17. doi: 10.1021/acs.biochem.5b00263. Epub 2015 May 14.


Structure and dynamics of the integrin LFA-1 I-domain in the inactive state underlie its inside-out/outside-in signaling and allosteric mechanisms.

Kukic P, Alvin Leung HT, Bemporad F, Aprile FA, Kumita JR, De Simone A, Camilloni C, Vendruscolo M.

Structure. 2015 Apr 7;23(4):745-53. doi: 10.1016/j.str.2014.12.020. Epub 2015 Mar 12.


The s2D method: simultaneous sequence-based prediction of the statistical populations of ordered and disordered regions in proteins.

Sormanni P, Camilloni C, Fariselli P, Vendruscolo M.

J Mol Biol. 2015 Feb 27;427(4):982-996. doi: 10.1016/j.jmb.2014.12.007. Epub 2014 Dec 20.


The H50Q mutation induces a 10-fold decrease in the solubility of α-synuclein.

Porcari R, Proukakis C, Waudby CA, Bolognesi B, Mangione PP, Paton JF, Mullin S, Cabrita LD, Penco A, Relini A, Verona G, Vendruscolo M, Stoppini M, Tartaglia GG, Camilloni C, Christodoulou J, Schapira AH, Bellotti V.

J Biol Chem. 2015 Jan 23;290(4):2395-404. doi: 10.1074/jbc.M114.610527. Epub 2014 Dec 10.


Understanding the frustration arising from the competition between function, misfolding, and aggregation in a globular protein.

Gianni S, Camilloni C, Giri R, Toto A, Bonetti D, Morrone A, Sormanni P, Brunori M, Vendruscolo M.

Proc Natl Acad Sci U S A. 2014 Sep 30;111(39):14141-6. doi: 10.1073/pnas.1405233111. Epub 2014 Sep 16.


NMR characterization of the conformational fluctuations of the human lymphocyte function-associated antigen-1 I-domain.

Leung HT, Kukic P, Camilloni C, Bemporad F, De Simone A, Aprile FA, Kumita JR, Vendruscolo M.

Protein Sci. 2014 Nov;23(11):1596-606. doi: 10.1002/pro.2538. Epub 2014 Sep 5.

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