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Functional cross-talk between allosteric effects of activating and inhibiting ligands underlies PKM2 regulation.

Macpherson JA, Theisen A, Masino L, Fets L, Driscoll PC, Encheva V, Snijders AP, Martin SR, Kleinjung J, Barran PE, Fraternali F, Anastasiou D.

Elife. 2019 Jul 2;8. pii: e45068. doi: 10.7554/eLife.45068.


15-deoxy-Δ12,14-Prostaglandin J2 inhibits human soluble epoxide hydrolase by a dual orthosteric and allosteric mechanism.

Abis G, Charles RL, Kopec J, Yue WW, Atkinson RA, Bui TTT, Lynham S, Popova S, Sun YB, Fraternali F, Eaton P, Conte MR.

Commun Biol. 2019 May 17;2:188. doi: 10.1038/s42003-019-0426-2. eCollection 2019.


Multi-Material Additive Manufacturing of Sustainable Innovative Materials and Structures.

Singh R, Kumar R, Farina I, Colangelo F, Feo L, Fraternali F.

Polymers (Basel). 2019 Jan 4;11(1). pii: E62. doi: 10.3390/polym11010062.


Identifying Extrinsic versus Intrinsic Drivers of Variation in Cell Behavior in Human iPSC Lines from Healthy Donors.

Vigilante A, Laddach A, Moens N, Meleckyte R, Leha A, Ghahramani A, Culley OJ, Kathuria A, Hurling C, Vickers A, Wiseman E, Tewary M, Zandstra PW; HipSci Consortium, Durbin R, Fraternali F, Stegle O, Birney E, Luscombe NM, Danovi D, Watt FM.

Cell Rep. 2019 Feb 19;26(8):2078-2087.e3. doi: 10.1016/j.celrep.2019.01.094.


Pan-cancer transcriptomic analysis dissects immune and proliferative functions of APOBEC3 cytidine deaminases.

Ng JCF, Quist J, Grigoriadis A, Malim MH, Fraternali F.

Nucleic Acids Res. 2019 Feb 20;47(3):1178-1194. doi: 10.1093/nar/gky1316.


ALIX Regulates Tumor-Mediated Immunosuppression by Controlling EGFR Activity and PD-L1 Presentation.

Monypenny J, Milewicz H, Flores-Borja F, Weitsman G, Cheung A, Chowdhury R, Burgoyne T, Arulappu A, Lawler K, Barber PR, Vicencio JM, Keppler M, Wulaningsih W, Davidson SM, Fraternali F, Woodman N, Turmaine M, Gillett C, Franz D, Quezada SA, Futter CE, Von Kriegsheim A, Kolch W, Vojnovic B, Carlton JG, Ng T.

Cell Rep. 2018 Jul 17;24(3):630-641. doi: 10.1016/j.celrep.2018.06.066.


Probing the early stages of prion protein (PrP) aggregation with atomistic molecular dynamics simulations.

Collu F, Spiga E, Chakroun N, Rezaei H, Fraternali F.

Chem Commun (Camb). 2018 Jul 12;54(57):8007-8010. doi: 10.1039/c8cc04089c.


Inhibitor-induced HER2-HER3 heterodimerisation promotes proliferation through a novel dimer interface.

Claus J, Patel G, Autore F, Colomba A, Weitsman G, Soliman TN, Roberts S, Zanetti-Domingues LC, Hirsch M, Collu F, George R, Ortiz-Zapater E, Barber PR, Vojnovic B, Yarden Y, Martin-Fernandez ML, Cameron A, Fraternali F, Ng T, Parker PJ.

Elife. 2018 May 1;7. pii: e32271. doi: 10.7554/eLife.32271.


BRepertoire: a user-friendly web server for analysing antibody repertoire data.

Margreitter C, Lu HC, Townsend C, Stewart A, Dunn-Walters DK, Fraternali F.

Nucleic Acids Res. 2018 Jul 2;46(W1):W264-W270. doi: 10.1093/nar/gky276.


[Protein-protein interacting networks, their structures and disease-related mutations].

Fraternali F.

Biol Aujourdhui. 2017;211(3):223-228. doi: 10.1051/jbio/2017031. Epub 2018 Feb 7. Review. French.


Genetic variants and protein-protein interactions: a multidimensional network-centric view.

Laddach A, Ng JC, Chung SS, Fraternali F.

Curr Opin Struct Biol. 2018 Jun;50:82-90. doi: 10.1016/ Epub 2018 Jan 4. Review.


TITINdb-a computational tool to assess titin's role as a disease gene.

Laddach A, Gautel M, Fraternali F.

Bioinformatics. 2017 Nov 1;33(21):3482-3485. doi: 10.1093/bioinformatics/btx424.


In silico identification of rescue sites by double force scanning.

Tiberti M, Pandini A, Fraternali F, Fornili A.

Bioinformatics. 2018 Jan 15;34(2):207-214. doi: 10.1093/bioinformatics/btx515.


Investigating Ebola virus pathogenicity using molecular dynamics.

Pappalardo M, Collu F, Macpherson J, Michaelis M, Fraternali F, Wass MN.

BMC Genomics. 2017 Aug 11;18(Suppl 5):566. doi: 10.1186/s12864-017-3912-2.


An engineered photoswitchable mammalian pyruvate kinase.

Gehrig S, Macpherson JA, Driscoll PC, Symon A, Martin SR, MacRae JI, Kleinjung J, Fraternali F, Anastasiou D.

FEBS J. 2017 Sep;284(18):2955-2980. doi: 10.1111/febs.14175. Epub 2017 Aug 16.


Surface Accessibility and Dynamics of Macromolecular Assemblies Probed by Covalent Labeling Mass Spectrometry and Integrative Modeling.

Schmidt C, Macpherson JA, Lau AM, Tan KW, Fraternali F, Politis A.

Anal Chem. 2017 Feb 7;89(3):1459-1468. doi: 10.1021/acs.analchem.6b02875. Epub 2017 Jan 18.


Homology-Based Modeling of Universal Stress Protein from Listeria innocua Up-Regulated under Acid Stress Conditions.

Tremonte P, Succi M, Coppola R, Sorrentino E, Tipaldi L, Picariello G, Pannella G, Fraternali F.

Front Microbiol. 2016 Dec 20;7:1998. doi: 10.3389/fmicb.2016.01998. eCollection 2016.


Transitional B Cells in Early Human B Cell Development - Time to Revisit the Paradigm?

Martin VG, Wu YB, Townsend CL, Lu GH, O'Hare JS, Mozeika A, Coolen AC, Kipling D, Fraternali F, Dunn-Walters DK.

Front Immunol. 2016 Dec 2;7:546. eCollection 2016.


Significant Differences in Physicochemical Properties of Human Immunoglobulin Kappa and Lambda CDR3 Regions.

Townsend CL, Laffy JM, Wu YB, Silva O'Hare J, Martin V, Kipling D, Fraternali F, Dunn-Walters DK.

Front Immunol. 2016 Sep 27;7:388. eCollection 2016.


Promiscuous antibodies characterised by their physico-chemical properties: From sequence to structure and back.

Laffy JMJ, Dodev T, Macpherson JA, Townsend C, Lu HC, Dunn-Walters D, Fraternali F.

Prog Biophys Mol Biol. 2017 Sep;128:47-56. doi: 10.1016/j.pbiomolbio.2016.09.002. Epub 2016 Sep 14.


PinSnps: structural and functional analysis of SNPs in the context of protein interaction networks.

Lu HC, Herrera Braga J, Fraternali F.

Bioinformatics. 2016 Aug 15;32(16):2534-6. doi: 10.1093/bioinformatics/btw153. Epub 2016 Mar 24.


Assembly of Influenza Hemagglutinin Fusion Peptides in a Phospholipid Bilayer by Coarse-grained Computer Simulations.

Collu F, Spiga E, Lorenz CD, Fraternali F.

Front Mol Biosci. 2015 Nov 18;2:66. doi: 10.3389/fmolb.2015.00066. eCollection 2015.


Towards the identification of the allosteric Phe-binding site in phenylalanine hydroxylase.

Carluccio C, Fraternali F, Salvatore F, Fornili A, Zagari A.

J Biomol Struct Dyn. 2016;34(3):497-507. doi: 10.1080/07391102.2015.1052016. Epub 2015 Oct 19.


Structural Properties of Green Tea Catechins.

Botten D, Fugallo G, Fraternali F, Molteni C.

J Phys Chem B. 2015 Oct 8;119(40):12860-7. doi: 10.1021/acs.jpcb.5b08737. Epub 2015 Sep 24.


Anatomy of protein disorder, flexibility and disease-related mutations.

Lu HC, Chung SS, Fornili A, Fraternali F.

Front Mol Biosci. 2015 Aug 12;2:47. doi: 10.3389/fmolb.2015.00047. eCollection 2015.


Bridging topological and functional information in protein interaction networks by short loops profiling.

Chung SS, Pandini A, Annibale A, Coolen AC, Thomas NS, Fraternali F.

Sci Rep. 2015 Feb 23;5:8540. doi: 10.1038/srep08540.


Pooled sequencing of 531 genes in inflammatory bowel disease identifies an associated rare variant in BTNL2 and implicates other immune related genes.

Prescott NJ, Lehne B, Stone K, Lee JC, Taylor K, Knight J, Papouli E, Mirza MM, Simpson MA, Spain SL, Lu G, Fraternali F, Bumpstead SJ, Gray E, Amar A, Bye H, Green P, Chung-Faye G, Hayee B, Pollok R, Satsangi J, Parkes M, Barrett JC, Mansfield JC, Sanderson J, Lewis CM, Weale ME, Schlitt T, Mathew CG; UK IBD Genetics Consortium.

PLoS Genet. 2015 Feb 11;11(2):e1004955. doi: 10.1371/journal.pgen.1004955. eCollection 2015 Feb. Erratum in: PLoS Genet. 2015 Apr;11(4):e1005172.


Design and application of implicit solvent models in biomolecular simulations.

Kleinjung J, Fraternali F.

Curr Opin Struct Biol. 2014 Apr;25:126-34. doi: 10.1016/ Epub 2014 May 20. Review.


AP1S3 mutations are associated with pustular psoriasis and impaired Toll-like receptor 3 trafficking.

Setta-Kaffetzi N, Simpson MA, Navarini AA, Patel VM, Lu HC, Allen MH, Duckworth M, Bachelez H, Burden AD, Choon SE, Griffiths CE, Kirby B, Kolios A, Seyger MM, Prins C, Smahi A, Trembath RC, Fraternali F, Smith CH, Barker JN, Capon F.

Am J Hum Genet. 2014 May 1;94(5):790-7. doi: 10.1016/j.ajhg.2014.04.005.


Biomechanical features of bidirectional-barbed suture: a randomized laboratory analysis.

Castaldi MA, Cobellis L, Fraternali F, Ardovino M, Ardovino I, Colacurci N.

Surg Technol Int. 2014 Mar;24:45-8.


Plasticity and conformational equilibria of influenza fusion peptides in model lipid bilayers.

Haria NR, Monticelli L, Fraternali F, Lorenz CD.

Biochim Biophys Acta. 2014 Apr;1838(4):1169-79. doi: 10.1016/j.bbamem.2013.12.020. Epub 2014 Jan 15.


Mapping disease-related missense mutations in the immunoglobulin-like fold domain of lamin A/C reveals novel genotype-phenotype associations for laminopathies.

Scharner J, Lu HC, Fraternali F, Ellis JA, Zammit PS.

Proteins. 2014 Jun;82(6):904-15. doi: 10.1002/prot.24465. Epub 2013 Dec 26.


Bidirectional barbed suture in laparoscopic myomectomy: clinical features.

Ardovino M, Castaldi MA, Fraternali F, Ardovino I, Colacurci N, Signoriello G, Cobellis L.

J Laparoendosc Adv Surg Tech A. 2013 Dec;23(12):1006-10. doi: 10.1089/lap.2013.0103.


BCR-ABL residues interacting with ponatinib are critical to preserve the tumorigenic potential of the oncoprotein.

Buffa P, Romano C, Pandini A, Massimino M, Tirrò E, Di Raimondo F, Manzella L, Fraternali F, Vigneri PG.

FASEB J. 2014 Mar;28(3):1221-36. doi: 10.1096/fj.13-236992. Epub 2013 Dec 2.


Specialized Dynamical Properties of Promiscuous Residues Revealed by Simulated Conformational Ensembles.

Fornili A, Pandini A, Lu HC, Fraternali F.

J Chem Theory Comput. 2013 Nov 12;9(11):5127-5147. Epub 2013 Sep 27.


Structural features of the regulatory ACT domain of phenylalanine hydroxylase.

Carluccio C, Fraternali F, Salvatore F, Fornili A, Zagari A.

PLoS One. 2013 Nov 14;8(11):e79482. doi: 10.1371/journal.pone.0079482. eCollection 2013.


Protein-protein interaction networks studies and importance of 3D structure knowledge.

Lu HC, Fornili A, Fraternali F.

Expert Rev Proteomics. 2013 Dec;10(6):511-20. doi: 10.1586/14789450.2013.856764. Review.


Structure and stability insights into tumour suppressor p53 evolutionary related proteins.

Pagano B, Jama A, Martinez P, Akanho E, Bui TT, Drake AF, Fraternali F, Nikolova PV.

PLoS One. 2013 Oct 4;8(10):e76014. doi: 10.1371/journal.pone.0076014. eCollection 2013.


A computational exploration of the interactions of the green tea polyphenol (-)-Epigallocatechin 3-Gallate with cardiac muscle troponin C.

Botten D, Fugallo G, Fraternali F, Molteni C.

PLoS One. 2013 Jul 29;8(7):e70556. doi: 10.1371/journal.pone.0070556. Print 2013.


GSATools: analysis of allosteric communication and functional local motions using a structural alphabet.

Pandini A, Fornili A, Fraternali F, Kleinjung J.

Bioinformatics. 2013 Aug 15;29(16):2053-5. doi: 10.1093/bioinformatics/btt326. Epub 2013 Jun 5.


Rate-independent dissipation and loading direction effects in compressed carbon nanotube arrays.

Raney JR, Fraternali F, Daraio C.

Nanotechnology. 2013 Jun 28;24(25):255707. doi: 10.1088/0957-4484/24/25/255707. Epub 2013 May 31.


Decrypting Prion Protein Conversion into a β-Rich Conformer by Molecular Dynamics.

Chakroun N, Fornili A, Prigent S, Kleinjung J, Dreiss CA, Rezaei H, Fraternali F.

J Chem Theory Comput. 2013 May 14;9(5):2455-2465. Epub 2013 Apr 4.


Large-scale modelling of the divergent spectrin repeats in nesprins: giant modular proteins.

Autore F, Pfuhl M, Quan X, Williams A, Roberts RG, Shanahan CM, Fraternali F.

PLoS One. 2013 May 6;8(5):e63633. doi: 10.1371/journal.pone.0063633. Print 2013.


Bidirectional barbed suture in total laparoscopic hysterectomy and lymph node dissection for endometrial cancer: technical evaluation and 1-year follow-up of 61 patients.

Ardovino M, Castaldi MA, Fraternali F, Ardovino I, Mosca L, Colacurci N, Signoriello G, Cobellis L.

J Laparoendosc Adv Surg Tech A. 2013 Apr;23(4):347-50. doi: 10.1089/lap.2012.0079.


Implicit Solvation Parameters Derived from Explicit Water Forces in Large-Scale Molecular Dynamics Simulations.

Kleinjung J, Scott WR, Allison JR, van Gunsteren WF, Fraternali F.

J Chem Theory Comput. 2012 Jul 10;8(7):2391-2403. Epub 2012 Jun 12.


Emerging role of the ubiquitin-proteasome system as drug targets.

Kar G, Keskin O, Fraternali F, Gursoy A.

Curr Pharm Des. 2013;19(18):3175-89. Review.


Urea-Water Solvation Forces on Prion Structures.

Kleinjung J, Fraternali F.

J Chem Theory Comput. 2012 Oct 9;8(10):3977-3984. Epub 2012 Aug 14.


Highly nonlinear solitary wave propagation in Y-shaped granular crystals with variable branch angles.

Ngo D, Fraternali F, Daraio C.

Phys Rev E Stat Nonlin Soft Matter Phys. 2012 Mar;85(3 Pt 2):036602. Epub 2012 Mar 6.


B-RAF mutant alleles associated with Langerhans cell histiocytosis, a granulomatous pediatric disease.

Satoh T, Smith A, Sarde A, Lu HC, Mian S, Trouillet C, Mufti G, Emile JF, Fraternali F, Donadieu J, Geissmann F.

PLoS One. 2012;7(4):e33891. doi: 10.1371/journal.pone.0033891. Epub 2012 Apr 10. Erratum in: PLoS One. 2012;7(6). doi:10.1371/annotation/74a67f4e-a536-4b3f-a350-9a4c1e6bebbd. Mian, Sophie [corrected to Mian, Syed].


A multiscale approach to the elastic moduli of biomembrane networks.

Fraternali F, Marcelli G.

Biomech Model Mechanobiol. 2012 Sep;11(7):1097-108. doi: 10.1007/s10237-012-0376-9. Epub 2012 Feb 17.


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