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M. Landreh, C. Sahin, J. Gault, S. Sadeghi, C.L. Drum, P. Uzdavinys, D. Drew, T.M. Allison, M.T. Degiacomi ✉ , E.G. Marklund, Predicting the shapes of protein complexes through collision cross section measurements and database searches , chemRxiv , A. Sonn-Segev Gault , C. Eichmann J. Schimpf H. Kopf S.P. Rudden Ashkinadze , R. Bomba Greenwald , M.T. Degiacomi J.A. Killian Friedrich , R. Riek B. Struwe Kukura, Mass Photometry of Membrane Proteins , bioRxiv T. Allison, P. Barran, J.L.P. Benesch, S. Cianferani, M.T. Degiacomi, V. Gabelica, R. Grandori, E. Marklund, T. Menneteau, L. Migas, A. Politis, M. Sharon, F. Sobott, K. Thalassinos, Software for the analysis and interpretation of native mass spectrometry data , chemRxiv T. Allison, P. Barran, S. Cianferani, M.T. Degiacomi, V. Gabelica, R. Grandori, E. Marklund, T. Menneteau, L. Migas, A. Politis, M. Sharon, F. Sobott, K. Thalassinos, J.L.P. Benesch, Computational Strategies and Challenges for Using Native Ion Mobility Mass Spectrometry in Biophysics and Structural Biology , chemRxiv Ramaswamy, V. K., Willcocks, C.G., Degiacomi, M.T. ✉ , Learning protein conformational space by enforcing physics with convolutions and latent interpolations , arXiv ARTICLES
2019
Rudden L.P. & Degiacomi M.T. ✉ (2019), Protein docking using a single representation for protein surface, electrostatics and local dynamics . Journal of Chemical Theory and Computation Collier M.T., Alderson, T.R., de Villiers, C.P., Nicholls, D. , Gastall, H.Y., Allison, T.M., Degiacomi M.T., Jiang, H., Mlynek, G., Fürst, D.O., van der Ven, P.F.M., Djinovic-Carugo, K., Baldwin, A.J., Watkins, H., Gehmlich, K., Benesch, J.L.P. (2019), HspB1 phosphorylation regulates its intramolecular dynamics and mechanosensitive molecular chaperone interaction with filamin C . Science Advances . 5(5) Degiacomi, M.T. ✉ (2019), Coupling Molecular Dynamics and Deep Learning to Mine Protein Conformational Space . Structure. datasets Lyon, Y.A., Collier, M.P., Riggs, D.L., Degiacomi, M.T., Benesch, J.L.P., Julian, R.R. (2019). Structural and functional consequences of age-related isomerization in α-crystallins . Journal of Biological Chemisty . Editors’ Pick Degiacomi, M.T. ✉ (2019). On the Effect of Sphere-Overlap on Super Coarse-Grained Models of Protein Assemblies . Journal of the American Mass Spectrometry Society 2018
Santhanagopalan I., Degiacomi M.T., Shepherd D.A., Hochberg G.K.A., Benesch J.L.P., Vierling E., (2018). It takes a dimer to tango: Oligomeric small heat shock proteins dissociate to capture substrate , Journal of Biological Chemisty Finelli M.J., Aprile D., Castroflorio E., Jeans A., Moschetta M., Chessum L., Degiacomi M.T., Grasegger J., Lupien-Meilleur A., Bassett A., Rossignol E., Campeau P.M., Bowl M.R., Benfenati F., Fassio A., Oliver P.L. (2018). The epilepsy-associated protein TBC1D24 is required for normal development, survival and vesicle trafficking in mammalian neurons . Human Molecular Genetics 28 (4), 584–597 Liko, I., Degiacomi, M.T., Lee, S., Newport, T.D., Gault, J., Reading, E., Hopper, J.T.S., Housden, N.G., White, P., Colledge, M., Sula, A., Wallace, B.A., Kleanthous, C., Stansfeld, P.J., Bayley, H., Benesch, J.L.P., Allison, T.M., Robinson, C.V., (2018). Lipid binding attenuates channel closure of the outer membrane protein OmpF . Proceedings of the National Academy of Sciences of the United States of America , 115 (26), 6691-6696 Hochberg, G.K.A., Shepherd, D.A., Marklund, E.G., Santhanagoplan, I., Degiacomi M.T., Laganowsky, A., Allison, T.M., Basha, E., Marty, M.T., Galpin, M.R., Struwe, W.B., Baldwin, A.J., Vierling, E., Benesch, J.L.P. (2018). Structural principles that enable oligomeric small heat-shock protein paralogs to evolve distinct functions , Science , 359 (6378), 930-935. datasets 2017
Erastova, V. *, Degiacomi, M.T. *, Fraser, D.G., Greenwell, H.C. (2017). Mineral surface control for origin of prebiotic peptides , Nature Communications 8 ( 1): 2033 datasets . Degiacomi, M.T. ✉ , Schmidt, C. , Baldwin, A.J., Benesch, J.L.P. (2017). Accommodating Protein Dynamics in the Modeling of Chemical Crosslinks , Structure, 25(11), 1751-1757. datasets Pritisanac, I., Degiacomi, M.T., Alderson, T.R., Carneiro, M.G., AB, E., Siegal, Gregg & Baldwin, Andrew J (2017). Automatic Assignment of Methyl-NMR Spectra of Supramolecular Machines Using Graph Theory . Journal of the American Chemical Society Tamò, G., Maesani, A., Träger, S., Degiacomi, M.T., Floreano, D. & Dal Peraro, M. (2017). Disentangling constraints using viability evolution principles in integrative modeling of macromolecular assemblies . Scientific reports 7(1): 235. Landreh, M., Marklund, E.G., Uzdavinys, P., Degiacomi, M.T., Coincon, M., Gault, J., Gupta, K., Liko, I., Benesch, J.L.P., Drew, D. & Robinson, C.V. (2017). Integrating mass spectrometry with MD simulations reveals the role of lipids in Na+/H+ antiporters . Nature Communications 8. Hopper, J.T.S., Ambrose, S., Grant, O.C., Krumm, S.A., Allison, T.M., Degiacomi, M.T., Tully, M.D., Pritchard, L.K., Ozorowski, G., Ward, A.B., Crispin, M., Doores, K.J., Woods, R.J., Benesch, J.L.P., Robinson, C.V. & Struwe, W.B. (2017). The Tetrameric Plant Lectin BanLec Neutralizes HIV through Bidentate Binding to Specific Viral Glycans . Structure 25(5): 773-782.e5. Erastova, V., Degiacomi, M. T., O’Hare, D. & Greenwell, H.C. (2017). Understanding surface interactions in aqueous miscible organic solvent treated layered double hydroxides . RSC Advances 7(9): 5076-5083. 2016
Mcdowell, M.A., Marcoux, J., Mcvicker, G., Johnson, S., Fong, Y.H., Stevens, R., Bowman, L.A.H., Degiacomi, M.T., Yan, J., Wise, A., Friede, M.E., Benesch, J.L.P., Deane, J.E., Tang, C.M., Robinson, C.V. & Lea, S.M. (2016). Characterisation of ShigellaSpa33 and ThermotogaFliM/N reveals a new model for C-ring assembly in T3SS . Molecular Microbiology 99(4): 749-766. Liko, I., Degiacomi, M.T., Mohammed, S., Yoshikawa, S., Schmidt, C. & Robinson, C.V. (2016). Dimer interface of Bovine cytochrome c oxidase is influenced by local posttranslational modifications and lipid binding . Proceedings of the National Academy of Sciences of the United States of America 113(29): 8230-8235. Degiacomi, M.T.*✉ , Erastova, V. * & Wilson, M.R. (2016). Easy creation of polymeric systems for molecular dynamics with Assemble! . Computer Physics Communications 202: 304-309. Degiacomi, M.T. ✉ & Benesch, J.L.P. (2016). EM∩IM: Software for relating ion mobility mass spectrometry and electron microscopy data . Analyst 141(1): 70-75. 2015
Marcoux, J., Mangione, P.P., Porcari, R., Degiacomi, M.T., Verona, G., Taylor, G.W., Giorgetti, S., Raimondi, S., Sanglier-Cianférani, S., Benesch, J.L., Cecconi, C., Naqvi, M.M., Gillmore, J.D., Hawkins, P.N., Stoppini, M., Robinson, C.V., Pepys, M.B. & Bellotti, V. (2015). A novel mechano-enzymatic cleavage mechanism underlies transthyretin amyloidogenesis . EMBO Molecular Medicine 7(10): 1337-1349. Bechara, C., Nöll, A., Morgner, N., Degiacomi, M.T., Tampé, R. & Robinson, C.V. (2015). A subset of annular lipids is linked to the flippase activity of an ABC transporter . Nature Chemistry 7(3): 255-262. Marklund, E.G., Degiacomi, M.T., Robinson, C.V., Baldwin, A.J. & Benesch, J.L.P. (2015). Collision cross sections for structural proteomics . Structure 23(4): 791-799. 2014
Laganowsky, A., Reading, E., Allison, T.M., Ulmschneider, M.B., Degiacomi, M.T., Baldwin, A.J. & Robinson, C.V. (2014). Membrane proteins bind lipids selectively to modulate their structure and function . Nature 510(7503): 172-175. Spiga, E.*, Degiacomi, M.T. * & Dal Peraro, M. (2014). New strategies for integrative dynamic modeling of macromolecular assembly . Advances in Protein Chemistry and Structural Biology 96: 77-111. Bovigny, C., Degiacomi, M.T., Lemmin, T., Dal Peraro, M. & Stenta, M. (2014). Reaction mechanism and catalytic fingerprint of allantoin racemase . Journal of Physical Chemistry B 118(27): 7457-7466. 2013
Hofmeyer, T., Schmelz, S., Degiacomi, M.T., Dal Peraro, M., Daneschdar, M., Scrima, A., Van Den Heuvel, J., Heinz, D.W. & Kolmar, H. (2013). Arranged sevenfold: Structural insights into the C-terminal oligomerization domain of human C4b-binding protein . Journal of Molecular Biology 425(8): 1302-1317. Spiga, E., Alemani, D., Degiacomi, M.T., Cascella, M. & Peraro, M.D. (2013). Electrostatic-consistent coarse-grained potentials for molecular simulations of proteins . Journal of Chemical Theory and Computation 9(8): 3515-3526. Kudryashev, M., Stenta, M., Schmelz, S., Amstutz, M., Wiesand, U., Castaño-Díez, D., Degiacomi, M.T., Münnich, S., Bleck, C.K.E., Kowal, J., Diepold, A., Heinz, D.W., Dal Peraro, M., Cornelis, G.R. & Stahlberg, H. (2013). In situ structural analysis of the Yersinia enterocolitica injectisome . eLife 2013(2). Degiacomi, M.T. & Dal Peraro, M. (2013). Macromolecular symmetric assembly prediction using swarm intelligence dynamic modeling . Structure 21(7): 1097-1106. Degiacomi, M.T.*, Iacovache, I.*, Pernot, L., Chami, M., Kudryashev, M., Stahlberg, H., Van Der Goot, F.G. & Dal Peraro, M. (2013). Molecular assembly of the aerolysin pore reveals a swirling membrane-insertion mechanism . Nature Chemical Biology 9(10): 623-629. [News and Views article ] 2012 and earlier
Iacovache, I., Degiacomi, M.T. & van der Goot, F.G. (2012). Pore-forming toxins Iacovache, I. *, Degiacomi, M.T. *, Pernot, L., Ho, S., Schiltz, M., Dal Peraro, M. & van der Goot, F.G. (2011). Dual chaperone role of the c-terminal propeptide in folding and oligomerization of the pore-forming toxin aerolysin . PLoS Pathogens 7(7). Wagner, S., Sorg, I., Degiacomi, M., Journet, L., Peraro, M.D. & Cornelis, G.R. (2009). The helical content of the YscP molecular ruler determines the length of the Yersinia injectisome. Molecular Microbiology 71(3): 692-701. Gowal, S., De Giacomi, M. & Le Boudec, J.-Y. (2007). Comment on: A validated mathematical model of cell-mediated immune response to tumor growth [1] . Cancer Research 67(17): 8419-8420. PATENTS
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