bqz445 bqz445

Research output

Research output per year 2011 2012 2013 2014 2015 2016 2019 2019

• 42 Journal article
• 3 Review
• 1 Conference abstract in journal
• 1 Editorial

Research output per year

Research output per year

Search results

• 2019

  Computational and cellular studies reveal structural destabilization and degradation of MLH1 variants in Lynch syndrome

  Abildgaard, A. B., Stein, A., Nielsen, S. V., Schultz-Knudsen, K., Papaleo, E., Shrikhande, A., Hoffmann, E. R., Bernstein, I., Gerdes, A-M., Takahashi, M., Ishioka, C., Lindorff-Larsen, K. & Hartmann-Petersen, R., Nov 2019, In: eLife. 8, 28 p., e49138 .

  Research output: Contribution to journal › Journal article › Research › peer-review

  • Hereditary Nonpolyposis Colorectal Neoplasms 100%
  • Thermodynamics 61%
  • Cofactor 34%
  • Disorder 32%
  • Mutation 32%
  10 Citations (Scopus)

  5 Downloads (Pure)

• Distinct signatures of lung cancer types: aberrant mucin O-glycosylation and compromised immune response

  Lucchetta, M., da Piedade, I., Mounir, M., Vabistsevits, M., Terkelsen, T. & Papaleo, E., 20 Aug 2019, In: BMC Cancer. 19, 824.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • Mucins 100%
  • Glycosylation 95%
  • Lung Neoplasms 73%
  • Adenocarcinoma of Lung 59%
  • Atlases 39%
  9 Citations (Scopus)

  8 Downloads (Pure)

• Molecular dynamics-guided discovery of an ago-allosteric modulator for GPR40/FFAR1

  Lückmann, M., Trauelsen, M., Bentsen, M. A., Nissen, T. A. D., Martins, J., Fallah, Z., Nygaard, M. M., Papaleo, E., Lindorff-Larsen, K., Schwartz, T. W. & Frimurer, T. M., 2 Apr 2019, In: Proceedings of the National Academy of Sciences of the United States of America. 116, 14, p. 7123-7128

  Research output: Contribution to journal › Journal article › Research › peer-review

  • Molecular Dynamics Simulation 100%
  • Lipid IV 83%
  • Carboxylic Acids 57%
  • Drug Discovery 46%
  • Fatty Acids 38%
  15 Citations (Scopus)

  12 Downloads (Pure)

• New functionalities in the TCGAbiolinks package for the study and integration of cancer data from GDC and GTEx

  Mounir, M., Lucchetta, M., Silva, T. C., Olsen, C., Bontempi, G., Chen, X., Noushmehr, H., Colaprico, A. & Papaleo, E., Mar 2019, In: PLOS Computational Biology. 15, 3, 18 p., e1006701.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • Genotype 100%
  • Genomics 99%
  • genotype 92%
  • Cancer 87%
  • Tumors 87%
  62 Citations (Scopus)

  9 Downloads (Pure)

• Promoting transparency and reproducibility in enhanced molecular simulations

  Bonomi, M., Bussi, G., Camilloni, C., Tribello, G. A., Banas, P., Barducci, A., Bernetti, M., Bolhuis, P. G., Bottaro, S., Branduardi, D., Capelli, R., Carloni, P., Ceriotti, M., Cesari, A., Chen, H., Chen, W., Colizzi, F., De, S., De La Pierre, M., Donadio, D., & 54 othersDrobot, V., Ensing, B., Ferguson, A. L., Filizola, M., Fraser, J. S., Fu, H., Gasparotto, P., Gervasio, F. L., Giberti, F., Gil-Ley, A., Giorgino, T., Heller, G. T., Hocky, G. M., Iannuzzi, M., Invernizzi, M., Jelfs, K. E., Jussupow, A., Kirilin, E., Laio, A., Limongelli, V., Lindorff-Larsen, K., Lohr, T., Marinelli, F., Martin-Samos, L., Masetti, M., Meyer, R., Michaelides, A., Molteni, C., Morishita, T., Nava, M., Paissoni, C., Papaleo, E., Parrinello, M., Pfaendtner, J., Piaggi, P., Piccini, G., Pietropaolo, A., Pietrucci, F., Pipolo, S., Provasi, D., Quigley, D., Raiteri, P., Raniolo, S., Rydzewski, J., Salvalaglio, M., Sosso, G. C., Spiwok, V., Sponer, J., Swenson, D. W. H., Tiwary, P., Valsson, O., Vendruscolo, M., Voth, G. A. & White, A., 1 Aug 2019, In: Nature Methods. 16, 8, p. 670-673

  Research output: Contribution to journal › Editorial › peer-review

  • Molecular Dynamics Simulation 100%
  • Transparency 89%
  • Libraries 79%
  • Simulation 56%
  • Gibbs Free Energy 33%
  116 Citations (Scopus)

• Release of transcriptional repression via ErbB2-induced, SUMO-directed phosphorylation of myeloid zinc finger-1 serine 27 activates lysosome redistribution and invasion

  Brix, D. M., Tvingsholm, S. A., Hansen, M. B., Clemmensen, K. B., Ohman, T., Siino, V., Lambrughi, M., Hansen, K., Puustinen, P., Gromova, I., James, P., Papaleo, E., Varjosalo, M., Moreira, J., Jäättelä, M. & Kallunki, T., 25 Apr 2019, In: Oncogene. 38, p. 3170-3184

  Research output: Contribution to journal › Journal article › Research › peer-review

  • Zinc Fingers 100%
  • Lysosomes 90%
  • Serine 85%
  • Phosphorylation 60%
  • Breast Neoplasms 21%
  9 Citations (Scopus)

• Selective autophagy maintains centrosome integrity and accurate mitosis by turnover of centriolar satellites

  Holdgaard, S. G., Cianfanelli, V., Pupo, E., Lambrughi, M., Lubas, M., Nielsen, J. C., Eibes, S., Maiani, E., Harder, L. M., Wesch, N., Foged, M. M., Maeda, K., Nazio, F., de la Ballina, L. R., Dötsch, V., Brech, A., Frankel, L. B., Jäättelä, M., Locatelli, F., Barisic, M., & 8 othersAndersen, J. S., Bekker-Jensen, S., Lund, A. H., Rogov, V. V., Papaleo, E., Lanzetti, L., De Zio, D. & Cecconi, F., 1 Dec 2019, In: Nature Communications. 10, 1, p. 1-19 19 p., 4176.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • mitosis 100%
  • Centrosome 89%
  • integrity 75%
  • Mitosis 70%
  • Autophagy 69%
  18 Citations (Scopus)

  13 Downloads (Pure)

• Use of Computational Biochemistry for Elucidating Molecular Mechanisms of Nitric Oxide Synthase

  Bignon, E., Rizza, S., Filomeni, G. & Papaleo, E., 2019, In: Computational and Structural Biotechnology Journal. 17, p. 415-429 15 p.

  Research output: Contribution to journal › Review › peer-review

  • Biochemistry 100%
  • Nitric oxide 93%
  • Nitric Oxide Synthase 66%
  • Arginine 60%
  • Molecular oxygen 60%
  5 Citations (Scopus)

  20 Downloads (Pure)
• 2018

  Computational Structural Biology of S-nitrosylation of Cancer Targets

  Bignon, E., Allega, M. F., Lucchetta, M., Tiberti, M. & Papaleo, E., 14 Aug 2018, In: Frontiers in Oncology. 8, p. 1-23 272.

  Research output: Contribution to journal › Review › peer-review

  • Oxidation-Reduction 100%
  • Computational Biology 98%
  • Post Translational Protein Processing 64%
  • Neoplasms 33%
  • Protein Conformation 27%
  16 Citations (Scopus)

  72 Downloads (Pure)

• How well do force fields capture the strength of salt bridges in proteins?

  Ahmed, M. C. H., Papaleo, E. & Lindorff-Larsen, K., 2018, In: PeerJ. 6, 17 p., 4967.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • Salts 100%
  • salts 78%
  • Force 76%
  • Strength 72%
  • Simulation 71%
  19 Citations (Scopus)

  69 Downloads (Pure)

• 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., 2018, In: PeerJ. 6, p. 1-24 e5125.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • molecular dynamics 100%
  • Molecular Dynamics Simulation 87%
  • Statistical Ensemble 78%
  • Chemical Shift 63%
  • Molecular Dynamics 57%
  9 Citations (Scopus)

  56 Downloads (Pure)
• 2017

  An efficient method for estimating the hydrodynamic radius of disordered protein conformations

  Nygaard, M., Kragelund, B. B., Papaleo, E. & Lindorff-Larsen, K., 8 Aug 2017, In: Biophysical Journal. 113, 3, p. 550-557 8 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • Protein Conformation 100%
  • Hydrodynamics 86%
  • Intrinsically Disordered Proteins 36%
  • Physics 30%
  • Structural Models 29%
  36 Citations (Scopus)

• A phosphorylation-motif for tuneable helix stabilisation in intrinsically disordered proteins - Lessons from the sodium proton exchanger 1 (NHE1)

  Hendus-Altenburger, R., Lambrughi, M., Terkelsen, T. B., Pedersen, S. H. F., Papaleo, E., Lindorff-Larsen, K. & Kragelund, B. B., Sept 2017, In: Cellular Signalling. 37, p. 40-51 12 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • Sodium-Hydrogen Exchanger 1 100%
  • Intrinsically Disordered Proteins 92%
  • Protons 64%
  • Sodium 53%
  • Phosphorylation 43%
  20 Citations (Scopus)

  109 Downloads (Pure)
• 2016

  A combined computational and structural model of the full-length human prolactin receptor

  Bugge, K. Ø., Papaleo, E., Haxholm, G. W., Hopper, J. T. S., Robinson, C. V., Olsen, J. G., Lindorff-Larsen, K. & Kragelund, B. B., 13 May 2016, In: Nature Communications. 7, 11 p., 11578.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • Prolactin 100%
  • Prolactin Receptors 99%
  • Cytokine Receptors 84%
  • Structural Models 82%
  • Mass Spectrometry 62%
  33 Citations (Scopus)

  125 Downloads (Pure)

• DNA-binding protects p53 from interactions with cofactors involved in transcription-independent functions

  Lambrughi, M., De Gioia, L., Gervasio, F. L., Lindorff-Larsen, K., Nussinov, R., Urani, C., Bruschi, M. & Papaleo, E., 2 Nov 2016, In: Nucleic Acids Research. 44, 19, p. 9096-9109 14 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • DNA 100%
  • Proteins 54%
  • Binding Sites 45%
  • Phosphorylation 41%
  • Transcription Factors 22%
  25 Citations (Scopus)

  46 Downloads (Pure)

• Mapping transiently formed and sparsely populated conformations on a complex energy landscape

  Wang, Y., Papaleo, E. & Lindorff-Larsen, K., 23 Aug 2016, In: eLife. 5, 35 p., e17505.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • Thermodynamics 100%
  • Kinetics 59%
  • Simulation 51%
  • Muramidase 47%
  • Molecular Dynamics Simulation 45%
  39 Citations (Scopus)

  208 Downloads (Pure)

• The human Na⁺/H⁺ exchanger 1 is a membrane scaffold protein for extracellular signal-regulated kinase 2

  Hendus-Altenburger, R., Pedraz Cuesta, E., Olesen, C. W., Papaleo, E., Schnell, J. A., Hopper, J. T. S., Robinson, C. V., Pedersen, S. H. F. & Kragelund, B. B., 15 Apr 2016, In: BMC Biology. 14, 17 p., 31.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • Sodium-Hydrogen Exchanger 1 100%
  • scaffolding proteins 86%
  • sodium-hydrogen antiporter 81%
  • Mitogen-Activated Protein Kinase 1 71%
  • mitogen-activated protein kinase 68%
  27 Citations (Scopus)

  62 Downloads (Pure)

• The role of protein loops and linkers in conformational dynamics and allostery

  Papaleo, E., Saladino, G., Lambrughi, M., Lindorff-Larsen, K., Gervasio, F. L. & Nussinov, R., 8 Jun 2016, In: Chemical Reviews. 116, 11, p. 6391-6423 33 p.

  Research output: Contribution to journal › Review › peer-review

  • Protein 100%
  • Protein Structure 78%
  • Dihedral Angle 67%
  • Time 28%
  159 Citations (Scopus)
• 2015

  A two-step protein quality control pathway for a misfolded DJ-1 variant in fission yeast

  Mathiassen, S. G., Larsen, I. B., Poulsen, E. G., Madsen, C. T., Papaleo, E., Lindorff-Larsen, K., Kragelund, B. B., Nielsen, M. L., Kriegenburg, F. & Hartmann-Petersen, R., 21 Aug 2015, In: The Journal of Biological Chemistry. 290, 34, p. 21141-21153 13 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • Protein Deglycase DJ-1 100%
  • Schizosaccharomyces 71%
  • Fission 66%
  • Quality Control 57%
  • Schizosaccharomyces pombe Proteins 32%
  15 Citations (Scopus)

• Comparing molecular dynamics force fields in the essential subspace

  Martin-García, F., Papaleo, E., Gomez-Puertas, P., Boomsma, W. K. & Lindorff-Larsen, K., 26 Mar 2015, In: PLoS ONE. 10, 3, 16 p., e0121114.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • Molecular Dynamics 100%
  • molecular dynamics 93%
  • Force Field 93%
  • Molecular dynamics 82%
  • Molecular Dynamics Simulation 81%
  50 Citations (Scopus)

  440 Downloads (Pure)

• ENCORE: Software for Quantitative Ensemble Comparison

  Tiberti, M., Papaleo, E., Bengtsen, T., Boomsma, W. K. & Lindorff-Larsen, K., 2015, In: PLoS Computational Biology. 11, 10, 16 p., e1004415.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • Ensemble 100%
  • Proteins 92%
  • Software 90%
  • protein 72%
  • software 65%
  34 Citations (Scopus)

  76 Downloads (Pure)

• Integrating atomistic molecular dynamics simulations, experiments, and network analysis to study protein dynamics: strength in unity

  Papaleo, E., 27 May 2015, In: Frontiers in Molecular Biosciences. 2, 6 p., 28.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • Molecular Dynamics Simulation 100%
  • Molecular Dynamics 65%
  • Strength 56%
  • Simulation 56%
  • Models (Physical) 48%
  38 Citations (Scopus)

  81 Downloads (Pure)

• Mutations of C19orf12, coding for a transmembrane glycine zipper containing mitochondrial protein, cause mis-localization of the protein, inability to respond to oxidative stress and increased mitochondrial Ca²⁺

  Venco, P., Bonora, M., Giorgi, C., Papaleo, E., Iuso, A., Prokisch, H., Pinton, P. & Tiranti, V., 2015, In: Frontiers in Genetics. 6, 14 p., 185.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • Mitochondrial Proteins 100%
  • Glycine 89%
  • Oxidative Stress 64%
  • Mutation 49%
  • Proteins 32%
  35 Citations (Scopus)

  86 Downloads (Pure)
• 2014

  CECAM workshop on intrinsically disordered proteins

  Rösner, H. I., Papaleo, E., Haxholm, G. W., Best, R. B., Kragelund, B. B. & Lindorff-Larsen, K., 2014, In: Intrinsically Disordered Proteins. 2, 1, p. 1-5 5 p.

  Research output: Contribution to journal › Conference abstract in journal › Research

  466 Downloads (Pure)

• Communication routes in ARID domains between distal residues in Helix 5 and the DNA-binding loops

  Invernizzi, G., Tiberti, M., Lambrughi, M., Lindorff-Larsen, K. & Papaleo, E., 1 Sept 2014, In: P L o S Computational Biology (Online). 10, 9, 13 p., e1003744.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • Helix 100%
  • communication (human) 88%
  • DNA 83%
  • Communication 73%
  • communication 61%
  23 Citations (Scopus)

  370 Downloads (Pure)

• Conformational changes and free energies in a Proline isomerase

  Papaleo, E., Sutto, L., Gervasio, F. L. & Lindorff-Larsen, K., 9 Sept 2014, In: Journal of Chemical Theory and Computation. 10, 9, p. 4169-4174 6 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • Free energy 100%
  • Proline 86%
  • Proteins 76%
  • free energy 68%
  • proteins 66%
  29 Citations (Scopus)

• Flexibility of cold- and heat-adapted subtilisin-like serine proteinases evaluated with fluorescence quenching and molecular dynamics

  Sigtryggsdóttir, A. R., Papaleo, E., Thorbjarnardóttir, S. H. & Kristjánsson, M. M., Apr 2014, In: BBA General Subjects. 1844, 4, p. 705-712 8 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • aqualysin I 100%
  • Subtilisin 66%
  • Serine Proteases 51%
  • Molecular Dynamics Simulation 51%
  • Serine 43%
  17 Citations (Scopus)

• Inhibitors of the Cdc34 acidic loop: a computational investigation integrating molecular dynamics, virtual screening and docking approaches

  Arrigoni, A., Bertini, L., De Gioia, L. & Papaleo, E., Sept 2014, In: F E B S Open Bio. 4, p. 473-484 12 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • Molecular Dynamics Simulation 100%
  • Ubiquitin 90%
  • Molecular Dynamics 65%
  • Ubiquitination 48%
  • Amino Groups 37%
  8 Citations (Scopus)

  598 Downloads (Pure)

• PyInteraph: a framework for the analysis of interaction networks in structural ensembles of proteins

  Tiberti, M., Invernizzi, G., Lambrughi, M., Inbar, Y., Schreiber, G. & Papaleo, E., 28 Apr 2014, In: Journal of Chemical Information and Modeling. 54, 5, p. 1537-1551 15 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • Molecular dynamics 100%
  • Statistical Ensemble 88%
  • Proteins 81%
  • Communication 81%
  • Molecular Dynamics 65%
  54 Citations (Scopus)

• Structural investigation of the cold-adapted acylaminoacyl peptidase from Sporosarcina psychrophila by atomistic simulations and biophysical methods

  Papaleo, E., Parravicini, F., Grandori, R., De Gioia, L. & Brocca, S., Dec 2014, In: B B A - Proteins and Proteomics. 1844, 12, p. 2203-2213 11 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • Sporosarcina 100%
  • acylaminoacyl-peptidase 97%
  • Atomistic Simulation 65%
  • Glycine Residue 45%
  • Cold Temperature 45%
  15 Citations (Scopus)

• The role of salt bridges on the temperature adaptation of aqualysin I, a thermostable subtilisin-like proteinase

  Jónsdóttir, L. B., Ellertsson, B. Ö., Invernizzi, G., Magnusdóttir, M., Thorbjarnardóttir, S. H., Papaleo, E. & Kristjánsson, M. M., Dec 2014, In: B B A - Proteins and Proteomics. 1844, 12, p. 2174-2181 8 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • aqualysin I 100%
  • Subtilisin 66%
  • Salts 40%
  • Mutation 38%
  • Peptide Hydrolases 38%
  28 Citations (Scopus)
• 2013

  Dynamics fingerprint and inherent asymmetric flexibility of a cold-adapted homodimeric enzyme. A case study of the Vibrio alkaline phosphatase

  Papaleo, E., Renzetti, G., Invernizzi, G. & Asgeirsson, B., Apr 2013, In: B B A - General Subjects. 1830, 4, p. 2970-2980 11 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • Vibrio 100%
  • Dermatoglyphics 91%
  • Communication 70%
  • Cold Temperature 69%
  • Alkaline Phosphatase 69%
  15 Citations (Scopus)

• Molecular and structural insight into lysine selection on substrate and ubiquitin lysine 48 by the ubiquitin-conjugating enzyme Cdc34

  Suryadinata, R., Holien, J. K., Yang, G., Parker, M. W., Papaleo, E. & Šarčević, B., 1 Jun 2013, In: Cell Cycle. 12, 11, p. 1732-1744 13 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • Ubiquitin-Conjugating Enzymes 100%
  • Ubiquitin 69%
  • Lysine 67%
  • Ubiquitination 28%
  • Ubiquitin-Protein Ligases 6%
  13 Citations (Scopus)

• Reciprocal influence of protein domains in the cold-adapted acyl aminoacyl peptidase from Sporosarcina psychrophila

  Parravicini, F., Natalello, A., Papaleo, E., De Gioia, L., Doglia, S. M., Lotti, M. & Brocca, S., 15 Feb 2013, In: PloS one. 8, 2, 11 p., e56254.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • Sporosarcina 100%
  • Sporosarcina psychrophila 98%
  • Peptide Hydrolases 76%
  • Enzymes 57%
  • peptidases 56%
  13 Citations (Scopus)

• The conformational ensemble of the disordered and aggregation-protective 182-291 region of ataxin-3

  Invemizzi, G., Lambrughi, M., Regonesi, M. E., Tortora, P. & Papaleo, E., 2013, In: B B A - General Subjects. 1830, 11, p. 5236-5247 12 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • Ataxin-3 100%
  • polyglutamine 79%
  • Statistical Ensemble 59%
  • Intrinsically Disordered Proteins 44%
  • Protein 24%
  11 Citations (Scopus)

• Zinc induced folding is essential for TIM15 activity as an mtHsp70 chaperone

  Fraga, H., Papaleo, E., Vega, S., Velazquez-Campoy, A. & Ventura, S., Jan 2013, In: BBA General Subjects. 1830, 1, p. 2139-2149 11 p.

  Research output: Contribution to journal › Journal article › Research

  • Zinc 100%
  • Protein 43%
  • Proteins 38%
  • Thermodynamics 25%
  • Zinc Fingers 23%
  8 Citations (Scopus)
• 2012

  Evidence for the formation of a Mo-H intermediate in the catalytic cycle of formate dehydrogenase

  Tiberti, M., Papaleo, E., Russo, N., De Gioia, L. & Zampella, G., 6 Aug 2012, In: Inorganic Chemistry. 51, 15, p. 8331-8339 9 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • dehydrogenases 100%
  • Formate Dehydrogenase 99%
  • formates 96%
  • Formate 70%
  • Selenocysteine Residue 58%
  26 Citations (Scopus)

• Functional annotation of the mesophilic-like character of mutants in a cold-adapted enzyme by self-organising map analysis of their molecular dynamics

  Fraccalvieri, D., Tiberti, M., Pandini, A., Bonati, L. & Papaleo, E., Oct 2012, In: Molecular BioSystems. 8, 10, p. 2680-2691 12 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • Molecular Dynamics Simulation 100%
  • Cold Temperature 80%
  • Enzymes 49%
  • Protein Engineering 40%
  • Mutation 33%
  11 Citations (Scopus)

• Loop 7 of E2 enzymes: an ancestral conserved functional motif involved in the E2-mediated steps of the ubiquitination cascade

  Papaleo, E., Casiraghi, N., Arrigoni, A., Vanoni, M., Coccetti, P. & De Gioia, L., 18 Jul 2012, In: PLOS ONE. 7, 7, 16 p., e40786.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • Conformations 100%
  • ubiquitination 99%
  • Enzymes 95%
  • ubiquitin 86%
  • Ubiquitination 86%
  22 Citations (Scopus)

  497 Downloads (Pure)

• Mechanisms of intramolecular communication in a hyperthermophilic acylaminoacyl peptidase: a molecular dynamics investigation

  Papaleo, E., Renzetti, G. & Tiberti, M., 27 Apr 2012, In: PLOS ONE. 7, 4, 17 p., e35686.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • acylaminoacyl-peptidase 100%
  • Peptide Hydrolases 78%
  • Molecular Dynamics 70%
  • molecular dynamics 65%
  • Molecular dynamics 57%
  32 Citations (Scopus)

  424 Downloads (Pure)

• Paths of long-range communication in the E2 enzymes of family 3: a molecular dynamics investigation

  Papaleo, E., Lindorff-Larsen, K. & Gioia, L. D., 28 Sept 2012, In: Physical Chemistry Chemical Physics. 14, p. 12515-12525 11 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • enzymes 100%
  • Communication 85%
  • communication 77%
  • proteins 74%
  • Molecular Dynamics 68%
  24 Citations (Scopus)

• Protein aggregation: mechanisms and functional consequences

  Invernizzi, G., Papaleo, E., Sabate, R. & Ventura, S., Sept 2012, In: International Journal of Biochemistry & Cell Biology. 44, 9, p. 1541-1554 14 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • Disorder 100%
  • Protein 48%
  • Huntington Disease 43%
  • Proteins 42%
  • Amyloid 36%
  91 Citations (Scopus)

• The role of the central flexible region on the aggregation and conformational properties of human ataxin-3

  Santambrogio, C., Frana, A. M., Natalello, A., Papaleo, E., Regonesi, M. E., Doglia, S. M., Tortora, P., Invernizzi, G. & Grandori, R., Feb 2012, In: F E B S Journal. 279, 3, p. 451-463 13 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • Ataxin-3 100%
  • Protein 24%
  • Proteins 22%
  • Ataxin-1 17%
  • Fluorescence 16%
  13 Citations (Scopus)

• xPyder: a PyMOL plugin to analyze coupled residues and their networks in protein structures

  Pasi, M., Tiberti, M., Arrigoni, A. & Papaleo, E., 23 Jul 2012, In: Journal of Chemical Information and Modeling. 52, 7, p. 1865-1874 10 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • Protein Structure 100%
  • Proteins 93%
  • communication 54%
  • Open Sources 51%
  • license 48%
  37 Citations (Scopus)
• 2011

  An acidic loop and cognate phosphorylation sites define a molecular switch that modulates ubiquitin charging activity in Cdc34-like enzymes

  Papaleo, E., Ranzani, V., Tripodi, F., Vitriolo, A., Cirulli, C., Fantucci, P., Alberghina, L., Vanoni, M., De Gioia, L. & Coccetti, P., May 2011, In: PLoS Computational Biology. 7, 5, p. e1002056

  Research output: Contribution to journal › Journal article › Research

  • Phosphorylation 100%
  • Casein 81%
  • Catalyst activity 77%
  • Enzymes 74%
  • ubiquitin 68%
  24 Citations (Scopus)

• Dynamic properties of extremophilic subtilisin-like serine-proteases

  Tiberti, M. & Papaleo, E., Apr 2011, In: Journal of Structural Biology. 174, 1, p. 69-83 15 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  • Subtilisin 100%
  • Serine Proteases 78%
  • Cold Temperature 62%
  • Molecular Dynamics Simulation 30%
  • Temperature 29%
  44 Citations (Scopus)

• Molecular dynamics of mesophilic-like mutants of a cold-adapted enzyme: insights into distal effects induced by the mutations

  Papaleo, E., Pasi, M., Tiberti, M. & De Gioia, L., 2011, In: PloS one. 6, 9, p. e24214

  Research output: Contribution to journal › Journal article › Research › peer-review

  • Amylases 100%
  • Molecular Dynamics 83%
  • molecular dynamics 77%
  • Mutant 77%
  • Enzymes 73%
  35 Citations (Scopus)