Alfonso De Simone

Alfonso De Simone

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Alfonso De Simone

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Bilateral fractures of acetabulum in a young girl with osteogenesis imperfecta and epilepsy.

Trauma Case Rep 2020 Feb 27;25:100265. Epub 2019 Nov 27.

Department of Life Health & Environmental Sciences, University of L'Aquila, Unit of Orthopaedics and Traumatology, L'Aquila, Italy.

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http://dx.doi.org/10.1016/j.tcr.2019.100265DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6889768PMC
February 2020

A Role of Cholesterol in Modulating the Binding of α-Synuclein to Synaptic-Like Vesicles.

Front Neurosci 2020 29;14:18. Epub 2020 Jan 29.

Department of Chemistry, Centre for Misfolding Diseases, University of Cambridge, Cambridge, United Kingdom.

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http://dx.doi.org/10.3389/fnins.2020.00018DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7000551PMC
January 2020

Desolvation of the substrate-binding protein TauA dictates ligand specificity for the alkanesulfonate ABC importer TauABC.

Biochem J 2019 Dec;476(23):3649-3660

Department of Life Sciences, Imperial College London, South Kensington, London SW7 2AZ, U.K.

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http://dx.doi.org/10.1042/BCJ20190779DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6906117PMC
December 2019

Homage to Chris Dobson.

Front Mol Biosci 2019 12;6:137. Epub 2019 Dec 12.

Centre for Genomic Regulation (CRG), Barcelona Institute of Science and Technology (BIST), Catalan Institute for Research and Advance Studies (ICREA), Barcelona, Spain.

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http://dx.doi.org/10.3389/fmolb.2019.00137DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6921691PMC
December 2019

Probing the dynamic stalk region of the ribosome using solution NMR.

Sci Rep 2019 Sep 19;9(1):13528. Epub 2019 Sep 19.

Institute of Structural and Molecular Biology, UCL and Birkbeck College London, Gower Street, London, WC1E 6BT, UK.

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http://dx.doi.org/10.1038/s41598-019-49190-1DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6753160PMC
September 2019

The Toxicity of Misfolded Protein Oligomers Is Independent of Their Secondary Structure.

ACS Chem Biol 2019 07 5;14(7):1593-1600. Epub 2019 Jul 5.

Department of Experimental and Clinical Biomedical Sciences, Section of Biochemistry , University of Florence , 50134 Florence , Italy.

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http://pubs.acs.org/doi/10.1021/acschembio.9b00324
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http://dx.doi.org/10.1021/acschembio.9b00324DOI Listing
July 2019

Cavitation energies can outperform dispersion interactions.

Nat Chem 2018 12 8;10(12):1252-1257. Epub 2018 Oct 8.

Department of Life Sciences and Chemistry, Jacobs University Bremen, Bremen, Germany.

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http://dx.doi.org/10.1038/s41557-018-0146-0DOI Listing
December 2018

Backbone NMR assignments of HypF-N under conditions generating toxic and non-toxic oligomers.

Biomol NMR Assign 2018 10 21;12(2):273-277. Epub 2018 May 21.

Department of Life Sciences, Imperial College London, South Kensington, London, SW72AZ, UK.

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http://dx.doi.org/10.1007/s12104-018-9822-7DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6132818PMC
October 2018

Local structural motifs in proteins: Detection and characterization of fragments inserted in helices.

Int J Biol Macromol 2018 Oct 12;118(Pt B):1924-1930. Epub 2018 Jul 12.

Institute of Biostructures and Bioimaging, C.N.R., Naples, Italy. Electronic address:

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http://dx.doi.org/10.1016/j.ijbiomac.2018.07.047DOI Listing
October 2018

Intrinsic structural versatility of the highly conserved 412-423 epitope of the Hepatitis C Virus E2 protein.

Int J Biol Macromol 2018 Sep 11;116:620-632. Epub 2018 May 11.

Institute of Biostructures and Bioimaging, CNR, Naples I-80134, Italy. Electronic address:

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http://dx.doi.org/10.1016/j.ijbiomac.2018.05.055DOI Listing
September 2018

A Carboxylate to Amide Substitution That Switches Protein Folds.

Angew Chem Int Ed Engl 2018 09 28;57(39):12795-12798. Epub 2018 Aug 28.

Department of Bioengineering, University of Washington, Seattle, WA, 98195-5013, USA.

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http://dx.doi.org/10.1002/anie.201807723DOI Listing
September 2018

Molecular determinants of the interaction of EGCG with ordered and disordered proteins.

Biopolymers 2018 Aug 30;109(10):e23117. Epub 2018 Mar 30.

Department of Life Sciences, Imperial College London, London, SW7 2AZ, United Kingdom.

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http://dx.doi.org/10.1002/bip.23117DOI Listing
August 2018

Structural differences between toxic and nontoxic HypF-N oligomers.

Chem Commun (Camb) 2018 Aug 18;54(62):8637-8640. Epub 2018 Jul 18.

Department of Experimental and Clinical Biomedical Sciences, University of Florence, Viale Morgagni 50, 50134 Firenze, Italy.

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http://dx.doi.org/10.1039/c8cc03446jDOI Listing
August 2018

Structural Basis for Natural Product Selection and Export by Bacterial ABC Transporters.

ACS Chem Biol 2018 06 18;13(6):1598-1609. Epub 2018 May 18.

Department of Life Sciences , Imperial College London , South Kensington, London SW7 2AZ , United Kingdom.

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http://dx.doi.org/10.1021/acschembio.8b00226DOI Listing
June 2018

Order and disorder in the physiological membrane binding of α-synuclein.

Curr Opin Struct Biol 2018 02 5;48:49-57. Epub 2017 Nov 5.

Department of Life Sciences, Imperial College London, South Kensington SW7 2AZ, London, UK. Electronic address:

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http://dx.doi.org/10.1016/j.sbi.2017.09.004DOI Listing
February 2018

A structural overview of mycobacterial adhesins: Key biomarkers for diagnostics and therapeutics.

Protein Sci 2018 02 27;27(2):369-380. Epub 2017 Dec 27.

Institute of Biostructures and Bioimaging, CNR, Via Mezzocannone 16, Napoli, I-80134, Italy.

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http://dx.doi.org/10.1002/pro.3346DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5775178PMC
February 2018

The PROSECCO server for chemical shift predictions in ordered and disordered proteins.

J Biomol NMR 2017 Nov 8;69(3):147-156. Epub 2017 Nov 8.

Department of Life Sciences, Imperial College London, London, SW7 2AZ, UK.

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http://dx.doi.org/10.1007/s10858-017-0145-2DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5711976PMC
November 2017

Understanding the mechanism of binding between Gab2 and the C terminal SH3 domain from Grb2.

Oncotarget 2017 Oct 18;8(47):82344-82351. Epub 2017 Jul 18.

Istituto Pasteur - Fondazione Cenci Bolognetti, Dipartimento di Scienze Biochimiche "A. Rossi Fanelli" and Istituto di Biologia e Patologia Molecolari del CNR, Sapienza Università di Roma, 00185, Rome, Italy.

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http://dx.doi.org/10.18632/oncotarget.19323DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5669894PMC
October 2017

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

J Mol Biol 2017 09 22;429(18):2772-2779. Epub 2017 Jul 22.

Department of Chemistry, University of Cambridge, Cambridge CB2 1EW, UK. Electronic address:

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http://dx.doi.org/10.1016/j.jmb.2017.07.016DOI Listing
September 2017

Toward Understanding the Molecular Bases of Stretch Activation: A STRUCTURAL COMPARISON OF THE TWO TROPONIN C ISOFORMS OF LETHOCERUS.

J Biol Chem 2016 Jul 20;291(31):16090-9. Epub 2016 May 20.

From the Department of Clinical and Basic Neurosciences, Wohl Institute, King's College, London SE5 3RT, United Kingdom, the Department of Molecular Medicine, Universita' of Pavia, Pavia I27100, Italy

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http://dx.doi.org/10.1074/jbc.M116.726646DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4965559PMC
July 2016

NMR Structure and Dynamics of the Resuscitation Promoting Factor RpfC Catalytic Domain.

PLoS One 2015 17;10(11):e0142807. Epub 2015 Nov 17.

Dipartimento di Scienze e Tecnologie Ambientali Biologiche e Farmaceutiche, Second University of Naples, via Vivaldi 43, 81100, Caserta, Italy.

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http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0142807PLOS
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4648573PMC
June 2016

Accurate Determination of Conformational Transitions in Oligomeric Membrane Proteins.

Sci Rep 2016 Mar 15;6:23063. Epub 2016 Mar 15.

Department of Life Sciences, Imperial College London, South Kensington, London, SW7 2AZ, UK.

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http://dx.doi.org/10.1038/srep23063DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4791661PMC
March 2016

The structure of Resuscitation promoting factor B from M. tuberculosis reveals unexpected ubiquitin-like domains.

Biochim Biophys Acta 2016 Feb 5;1860(2):445-51. Epub 2015 Nov 5.

Institute of Biostructures and Bioimaging, CNR, via Mezzocannone 16, Napoli, Italy. Electronic address:

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http://dx.doi.org/10.1016/j.bbagen.2015.11.001DOI Listing
February 2016

Characterization of the conformational fluctuations in the Josephin domain of ataxin-3.

Biophys J 2014 Dec;107(12):2932-2940

Department of Basic and Clinical Neurosciences, King's College London, London, United Kingdom. Electronic address:

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http://dx.doi.org/10.1016/j.bpj.2014.10.008DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4269769PMC
December 2014

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

Protein Sci 2014 Nov 5;23(11):1596-606. Epub 2014 Sep 5.

Department of Chemistry, University of Cambridge, Cambridge CB2 1EW, United Kingdom; Biozentrum, University of Basel, Basel, CH-4056, Switzerland.

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http://dx.doi.org/10.1002/pro.2538DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4241110PMC
November 2014

Reply to: "Only kinetics can prove conformational selection".

Biophys J 2014 Oct;107(8):1999-2000

Department of Life Sciences, Imperial College London, London, United Kingdom. Electronic address:

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http://dx.doi.org/10.1016/j.bpj.2014.08.036DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4213665PMC
October 2014

Interplay between peptide bond geometrical parameters in nonglobular structural contexts.

Biomed Res Int 2013 26;2013:326914. Epub 2013 Dec 26.

Institute of Biostructures and Bioimaging, CNR, Via Mezzocannone 16, 80134 Napoli, Italy.

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http://dx.doi.org/10.1155/2013/326914DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3888713PMC
July 2014

Structural dynamics and conformational equilibria of SERCA regulatory proteins in membranes by solid-state NMR restrained simulations.

Biophys J 2014 Jun;106(12):2566-76

Department of Chemistry, University of Minnesota, Minneapolis, Minnesota; Department of Biochemistry, Molecular Biology & Biophysics, University of Minnesota, Minneapolis, Minnesota. Electronic address:

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http://dx.doi.org/10.1016/j.bpj.2014.03.026DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4070166PMC
June 2014

Direct observation of the three regions in α-synuclein that determine its membrane-bound behaviour.

Nat Commun 2014 May 29;5:3827. Epub 2014 May 29.

1] Department of Biochemistry, Molecular Biology and Biophysics, University of Minnesota, 6-155 Jackson Hall 321 Church street SE, Minneapolis, Minnesota 55455, USA [2] Department of Chemistry, University of Minnesota, 6-155 Jackson Hall 321 Church street SE, Minneapolis, Minnesota 55455, USA.

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http://dx.doi.org/10.1038/ncomms4827DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4046108PMC
May 2014

New opportunities for tensor-free calculations of residual dipolar couplings for the study of protein dynamics.

J Biomol NMR 2014 Apr 30;58(4):233-8. Epub 2014 Jan 30.

São Carlos Institute of Physics, University of São Paulo, São Carlos, CEP 13566-590, Brazil.

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http://dx.doi.org/10.1007/s10858-013-9801-3DOI Listing
April 2014

The crystal structure of the streptococcal collagen-like protein 2 globular domain from invasive M3-type group A Streptococcus shows significant similarity to immunomodulatory HIV protein gp41.

J Biol Chem 2014 Feb 19;289(8):5122-33. Epub 2013 Dec 19.

From the Institute of Biostructures and Bioimaging, Consiglio Nazionale delle Ricerche, Via Mezzocannone 16, I-80134 Napoli, Italy.

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http://dx.doi.org/10.1074/jbc.M113.523597DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3931070PMC
February 2014

Conformational modifications of gB from herpes simplex virus type 1 analyzed by synthetic peptides.

J Med Chem 2013 Nov 25;56(21):8366-76. Epub 2013 Oct 25.

Department of Pharmacy, ‡CIRPEB, and §DFM Scarl, University of Naples "Federico II" , Via Mezzocannone 16, 80134, Napoli, Italy.

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http://dx.doi.org/10.1021/jm400771kDOI Listing
November 2013

The intrinsic stability of the human prion β-sheet region investigated by molecular dynamics.

J Biomol Struct Dyn 2013 9;31(5):441-52. Epub 2012 Aug 9.

Division of Molecular Biosciences, Imperial College South Kensington Campus, London, SW7 2AZ, UK.

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http://www.tandfonline.com/doi/abs/10.1080/07391102.2012.703
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http://dx.doi.org/10.1080/07391102.2012.703070DOI Listing
October 2013

Cucurbit[8]uril and blue-box: high-energy water release overwhelms electrostatic interactions.

J Am Chem Soc 2013 Oct 24;135(39):14879-88. Epub 2013 Sep 24.

School of Engineering and Science, Jacobs University Bremen , Campus Ring 1, 28759 Bremen, Germany .

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http://dx.doi.org/10.1021/ja407951xDOI Listing
October 2013

Characterization of the interdomain motions in hen lysozyme using residual dipolar couplings as replica-averaged structural restraints in molecular dynamics simulations.

Biochemistry 2013 Sep 9;52(37):6480-6. Epub 2013 Sep 9.

Department of Chemistry, University of Cambridge , Cambridge CB2 1EW, United Kingdom.

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http://dx.doi.org/10.1021/bi4007513DOI Listing
September 2013

Structures of the excited states of phospholamban and shifts in their populations upon phosphorylation.

Biochemistry 2013 Sep 11;52(38):6684-94. Epub 2013 Sep 11.

Division of Molecular Biosciences, Imperial College London , London SW7 2AZ, U.K.

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http://dx.doi.org/10.1021/bi400517bDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3844793PMC
September 2013

Molecular determinants of inactivation of the resuscitation promoting factor B from Mycobacterium tuberculosis.

J Biomol Struct Dyn 2013 25;31(2):195-205. Epub 2012 Jul 25.

Institute of Biostructure and Bioimaging, CNR, Naples, Italy.

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http://dx.doi.org/10.1080/07391102.2012.698243DOI Listing
July 2013

A method of determining RNA conformational ensembles using structure-based calculations of residual dipolar couplings.

J Chem Phys 2013 Jun;138(21):215103

Department of Chemistry, University of Cambridge, Cambridge, United Kingdom.

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http://dx.doi.org/10.1063/1.4804301DOI Listing
June 2013

Structural and dynamic properties of incomplete immunoglobulin-like fold domains.

Protein Pept Lett 2012 Oct;19(10):1045-53

Istituto di Biostrutture e Bioimmagini C.N.R., Via Mezzocannone 16, I-80134 Napoli, Italy.

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http://dx.doi.org/10.2174/092986612802762732DOI Listing
October 2012

Release of high-energy water as an essential driving force for the high-affinity binding of cucurbit[n]urils.

J Am Chem Soc 2012 Sep 10;134(37):15318-23. Epub 2012 Sep 10.

Melville Laboratory for Polymer Synthesis and Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, UK.

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http://dx.doi.org/10.1021/ja303309eDOI Listing
September 2012

Dynamical properties of steric zipper polymorphs formed by a IAPP-derived peptide.

Protein Pept Lett 2012 Aug;19(8):846-51

Istituto di Biostrutture e Bioimmagini, CNR via Mezzocannone 16, I-80134 Napoli, Italy.

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http://dx.doi.org/10.2174/092986612801619642DOI Listing
August 2012

Determination of structural fluctuations of proteins from structure-based calculations of residual dipolar couplings.

J Biomol NMR 2012 Aug 23;53(4):281-92. Epub 2012 Jun 23.

Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, UK.

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http://dx.doi.org/10.1007/s10858-012-9644-3DOI Listing
August 2012

Characterizing intermolecular interactions that initiate native-like protein aggregation.

Biophys J 2012 Jun 5;102(11):2595-604. Epub 2012 Jun 5.

Department of Chemistry, University of Cambridge, Cambridge, United Kingdom.

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http://dx.doi.org/10.1016/j.bpj.2012.03.057DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3368139PMC
June 2012

Intrinsic disorder modulates protein self-assembly and aggregation.

Proc Natl Acad Sci U S A 2012 May 16;109(18):6951-6. Epub 2012 Apr 16.

Division of Molecular Biosciences, Imperial College London, South Kensington SW7 2AZ, United Kingdom.

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http://dx.doi.org/10.1073/pnas.1118048109DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344965PMC
May 2012

¹H, ¹³C and ¹⁵N resonance assignments of human muscle acylphosphatase.

Biomol NMR Assign 2012 Apr 5;6(1):27-9. Epub 2011 Jun 5.

Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB21EW, UK.

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http://dx.doi.org/10.1007/s12104-011-9318-1DOI Listing
April 2012

Force-field dependence of chignolin folding and misfolding: comparison with experiment and redesign.

Biophys J 2012 Apr;102(8):1897-906

Regional Centre of Advanced Technologies and Materials, Department of Physical Chemistry, Faculty of Science, Palacky University, Olomouc, Czech Republic.

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http://dx.doi.org/10.1016/j.bpj.2012.03.024DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3328722PMC
April 2012

Characterization of the conformational equilibrium between the two major substates of RNase A using NMR chemical shifts.

J Am Chem Soc 2012 Mar 22;134(9):3968-71. Epub 2012 Feb 22.

Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK.

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http://dx.doi.org/10.1021/ja210951zDOI Listing
March 2012

Determination of secondary structure populations in disordered states of proteins using nuclear magnetic resonance chemical shifts.

Biochemistry 2012 Mar 6;51(11):2224-31. Epub 2012 Mar 6.

Department of Chemistry, University of Cambridge, Cambridge CB2 1EW, UK.

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http://dx.doi.org/10.1021/bi3001825DOI Listing
March 2012

Energy landscape of the prion protein helix 1 probed by metadynamics and NMR.

Biophys J 2012 Jan 3;102(1):158-67. Epub 2012 Jan 3.

Department of Chemistry, University of Cambridge, Cambridge, United Kingdom.

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http://dx.doi.org/10.1016/j.bpj.2011.12.003DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3250675PMC
January 2012

Experimental free energy surfaces reveal the mechanisms of maintenance of protein solubility.

Proc Natl Acad Sci U S A 2011 Dec 12;108(52):21057-62. Epub 2011 Dec 12.

Division of Molecular Biosciences, Imperial College London, London SW7 2AZ, United Kingdom.

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http://dx.doi.org/10.1073/pnas.1112197108DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3248487PMC
December 2011

Role of hydration in collagen recognition by bacterial adhesins.

Biophys J 2011 May;100(9):2253-61

Istituto di Biostrutture e Bioimmagini, Consiglio Nazionale delle Ricerce (IBB-CNR), Naples, Italy.

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http://dx.doi.org/10.1016/j.bpj.2011.03.033DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3149249PMC
May 2011

The Josephin domain determines the morphological and mechanical properties of ataxin-3 fibrils.

Biophys J 2011 Apr;100(8):2033-42

Division of Molecular Structure, Medical Research Council, National Institute for Medical Research, London, United Kingdom.

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http://dx.doi.org/10.1016/j.bpj.2011.02.056DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3077691PMC
April 2011

Structural characterization of a misfolded intermediate populated during the folding process of a PDZ domain.

Nat Struct Mol Biol 2010 Dec 14;17(12):1431-7. Epub 2010 Nov 14.

Istituto Pasteur-Fondazione Cenci Bolognetti and Istituto di Biologia e Patologia Molecolari del CNR, Dipartimento di Scienze Biochimiche 'A. Rossi Fanelli', Università di Roma 'La Sapienza', Rome, Italy.

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http://dx.doi.org/10.1038/nsmb.1956DOI Listing
December 2010

Low molecular weight oligomers of amyloid peptides display beta-barrel conformations: a replica exchange molecular dynamics study in explicit solvent.

J Chem Phys 2010 Apr;132(16):165103

Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom.

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http://dx.doi.org/10.1063/1.3385470DOI Listing
April 2010

Dynamics and stability of amyloid-like steric zipper assemblies with hydrophobic dry interfaces.

Biopolymers 2009 Dec;91(12):1161-71

Istituto di Biostrutture e Bioimmagini, CNR via Mezzocannone 16, I-80134 Napoli, Italy.

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http://dx.doi.org/10.1002/bip.21182DOI Listing
December 2009

Josephin domain of ataxin-3 contains two distinct ubiquitin-binding sites.

Biopolymers 2009 Dec;91(12):1203-14

National Institute for Medical Research, The Ridgeway, London NW7 1AA, UK.

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http://dx.doi.org/10.1002/bip.21210DOI Listing
December 2009

Accurate random coil chemical shifts from an analysis of loop regions in native states of proteins.

J Am Chem Soc 2009 Nov;131(45):16332-3

Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK.

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http://dx.doi.org/10.1021/ja904937aDOI Listing
November 2009

Role of side chains in collagen triple helix stabilization and partner recognition.

J Pept Sci 2009 Mar;15(3):131-40

Istituto di Biostrutture e Bioimmagini, CNR via Mezzocannone 16, I-80134 Napoli, Italy.

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http://dx.doi.org/10.1002/psc.1082DOI Listing
March 2009

Toward an accurate determination of free energy landscapes in solution states of proteins.

J Am Chem Soc 2009 Mar;131(11):3810-1

Department of Chemistry, University of Cambridge, UK.

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http://dx.doi.org/10.1021/ja8087295DOI Listing
March 2009

Stability of single sheet GNNQQNY aggregates analyzed by replica exchange molecular dynamics: antiparallel versus parallel association.

Biochem Biophys Res Commun 2008 Dec 18;377(4):1036-41. Epub 2008 Oct 18.

Istituto di Biostrutture e Bioimmagini, CNR via Mezzocannone 16, I-80134 Napoli, Italy.

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http://dx.doi.org/10.1016/j.bbrc.2008.10.039DOI Listing
December 2008

Conformation and dynamics of a rhodamine probe attached at two sites on a protein: implications for molecular structure determination in situ.

J Am Chem Soc 2008 Dec;130(50):17120-8

Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom.

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http://pubs.acs.org/doi/abs/10.1021/ja807264v
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http://dx.doi.org/10.1021/ja807264vDOI Listing
December 2008

Insights into stability and toxicity of amyloid-like oligomers by replica exchange molecular dynamics analyses.

Biophys J 2008 Aug 9;95(4):1965-73. Epub 2008 May 9.

Istituto di Biostrutture e Bioimmagini, CNR, and Dipartimento delle Scienze Biologiche, Università Federico II, I-80134 Naples, Italy.

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http://dx.doi.org/10.1529/biophysj.108.129213DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2483745PMC
August 2008

Role of hydration in collagen triple helix stabilization.

Biochem Biophys Res Commun 2008 Jul 15;372(1):121-5. Epub 2008 May 15.

Istituto di Biostrutture e Bioimmagini, C.N.R., via Mezzocannone 16, I-80134 Napoli, Italy.

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http://dx.doi.org/10.1016/j.bbrc.2008.04.190DOI Listing
July 2008

Computational studies of the structure, dynamics and native content of amyloid-like fibrils of ribonuclease A.

Proteins 2008 Feb;70(3):863-72

Istituto di Chimica del Riconoscimento Molecolare, CNR, Via Mario Bianco, 9, 20131 Milano, Italy.

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http://dx.doi.org/10.1002/prot.21648DOI Listing
February 2008

Structure, dynamics, and stability of assemblies of the human prion fragment SNQNNF.

Biochem Biophys Res Commun 2008 Feb 17;366(3):800-6. Epub 2007 Dec 17.

Istituto di Bioimmagini e Biostrutture, C.N.R., via Mezzocannone 16, I-80134 Napoli, Italy.

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http://dx.doi.org/10.1016/j.bbrc.2007.12.047DOI Listing
February 2008

Multi-scale simulations provide supporting evidence for the hypothesis of intramolecular protein translocation in GroEL/GroES complexes.

PLoS Comput Biol 2008 Feb 29;4(2):e1000006. Epub 2008 Feb 29.

Department of Chemistry, University of Cambridge, Cambridge, United Kingdom.

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http://dx.doi.org/10.1371/journal.pcbi.1000006DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2265519PMC
February 2008

Structural and hydration properties of the partially unfolded states of the prion protein.

Biophys J 2007 Aug 4;93(4):1284-92. Epub 2007 May 4.

Dipartimento delle Scienze Biologiche, Sezione Biostrutture and CNISM, Università di Napoli Federico II, I-80134 Naples, Italy.

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http://dx.doi.org/10.1529/biophysj.107.108613DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC1929054PMC
August 2007

MD and NMR studies of alpha-bungarotoxin surface accessibility.

Biochem Biophys Res Commun 2007 Apr 27;356(1):114-7. Epub 2007 Feb 27.

Biomolecular Structure Research Center and Dipartimento di Biologia Molecolare, Università di Siena, via A. Fiorentina 1, 53100 Siena, Italy.

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http://dx.doi.org/10.1016/j.bbrc.2007.02.094DOI Listing
April 2007

Polyproline helices in protein structures: A statistical survey.

Protein Pept Lett 2006 ;13(8):847-54

Istituto di Biostrutture e Bioimmagini, CNR, Via Mezzocannone 16. I-80134 Napoli, Italy.

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http://dx.doi.org/10.2174/092986606777841154DOI Listing
December 2006

Limited tendency of alpha-helical residues to form disulfide bridges: a structural explanation.

J Pept Sci 2006 Dec;12(12):740-7

Dipartimento delle Scienze Biologiche, Sezione Biostrutture, and CNISM, Università degli Studi di Napoli Federico II, I-80134 Napoli, Italy.

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http://dx.doi.org/10.1002/psc.809DOI Listing
December 2006

Toward the understanding of MNEI sweetness from hydration map surfaces.

Biophys J 2006 May 3;90(9):3052-61. Epub 2006 Feb 3.

National Institute for Medical Research, NW7 1AA London, United Kingdom.

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http://dx.doi.org/10.1529/biophysj.105.073171DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC1432101PMC
May 2006

Water molecules as structural determinants among prions of low sequence identity.

FEBS Lett 2006 May 17;580(10):2488-94. Epub 2006 Apr 17.

National Institute for Medical Research, The Ridgeway, Mill Hill, NW7 1AA, London, UK.

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http://dx.doi.org/10.1016/j.febslet.2006.02.083DOI Listing
May 2006

Prion and water: tight and dynamical hydration sites have a key role in structural stability.

Proc Natl Acad Sci U S A 2005 May 13;102(21):7535-40. Epub 2005 May 13.

National Institute for Medical Research, The Ridgeway, Mill Hill, London NW7 1AA, UK.

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http://dx.doi.org/10.1073/pnas.0501748102DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC1140432PMC
May 2005

Correlation between omega and psi dihedral angles in protein structures.

J Mol Biol 2005 Apr;347(3):483-7

Istituto di Biostrutture e Bioimmagini, CNR, Via Mezzocannone 16, I-80134 Napoli, Italy.

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http://dx.doi.org/10.1016/j.jmb.2005.01.065DOI Listing
April 2005