Publications by authors named "Sara Fortuna"

26Publications

Exploring the use of leucine zippers for the generation of a new class of inclusion bodies for pharma and biotechnological applications.

Microb Cell Fact 2020 Sep 4;19(1):175. Epub 2020 Sep 4.

Department of Ruminant Production, Institute of Agriculture and Food Research and Technology (IRTA), 08140, Caldes de Montbui, Spain.

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http://dx.doi.org/10.1186/s12934-020-01425-xDOI Listing
September 2020

Soluble HLA-G expression levels and HLA-G/irinotecan association in metastatic colorectal cancer treated with irinotecan-based strategy.

Sci Rep 2020 05 29;10(1):8773. Epub 2020 May 29.

Department of Chemical and Pharmaceutical Sciences, University of Trieste, Via L. Giorgieri 1, 34127, Trieste, Italy.

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http://dx.doi.org/10.1038/s41598-020-65424-zDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7260212PMC
May 2020

Synthesis, Cytotoxicity Evaluation, and Computational Insights of Novel 1,4-Diazepane-Based Sigma Ligands.

ACS Med Chem Lett 2020 May 16;11(5):651-656. Epub 2019 Dec 16.

Department of Chemical and Pharmaceutical Sciences, P.le Europa 1-Via Giorgieri 1, University of Trieste, 34127 Trieste, Italy.

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http://dx.doi.org/10.1021/acsmedchemlett.9b00524DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7236030PMC
May 2020

Chimeric Peptidomimetics of SOCS 3 Able to Interact with JAK2 as Anti-inflammatory Compounds.

ACS Med Chem Lett 2020 May 19;11(5):615-623. Epub 2020 Mar 19.

Department of Pharmacy, CIRPEB: Centro Interuniversitario di Ricerca sui Peptidi Bioattivi, University of Naples "Federico II", 80134 Naples, Italy.

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http://dx.doi.org/10.1021/acsmedchemlett.9b00664DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7236031PMC
May 2020

A consensus protocol for the in silico optimisation of antibody fragments.

Chem Commun (Camb) 2019 Nov;55(93):14043-14046

International School for Advanced Studies (SISSA), Via Bonomea 265, 34136, Trieste, Italy.

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http://dx.doi.org/10.1039/c9cc06182gDOI Listing
November 2019

Design, synthesis and antimycobacterial activity of benzoxazinone derivatives and open-ring analogues: Preliminary data and computational analysis.

Bioorg Med Chem Lett 2019 09 17;29(17):2468-2474. Epub 2019 Jul 17.

Pharmacy and Clinical Pharmacology Department, Institute for Maternal and Child Health IRCCS Burlo Garofolo, Via dell'Istria 65/1, 34137 Trieste, Italy.

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http://dx.doi.org/10.1016/j.bmcl.2019.07.025DOI Listing
September 2019

Discovery of new potent dual sigma receptor/GluN2b ligands with antioxidant property as neuroprotective agents.

Eur J Med Chem 2019 Oct 8;180:268-282. Epub 2019 Jul 8.

Department of Chemistry and Pharmaceutical Sciences, Piazzale Europa 1- Via Giorgieri 1, University of Trieste, 34127, Trieste, Italy.

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http://dx.doi.org/10.1016/j.ejmech.2019.07.012DOI Listing
October 2019

AMPA receptor GluA2 subunit defects are a cause of neurodevelopmental disorders.

Nat Commun 2019 07 12;10(1):3094. Epub 2019 Jul 12.

Department of Neuromuscular Disorders, UCL Queen Square Institute of Neurology, London, WC1N 3BG, UK.

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http://dx.doi.org/10.1038/s41467-019-10910-wDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6626132PMC
July 2019

Binding affinity prediction of nanobody-protein complexes by scoring of molecular dynamics trajectories.

Phys Chem Chem Phys 2018 Jan;20(5):3438-3444

SISSA, Via Bonomea 265, I-34136 Trieste, Italy.

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http://dx.doi.org/10.1039/c7cp08116bDOI Listing
January 2018

Influence of Linker Flexibility on the Binding Affinity of Bidentate Binders.

J Phys Chem B 2017 04 13;121(16):3918-3924. Epub 2017 Apr 13.

Molecular Nanotechnology for Life Science Applications Theory Group, Department of Medical and Biological Sciences, University of Udine , Udine, 33100, Italy.

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http://dx.doi.org/10.1021/acs.jpcb.6b12627DOI Listing
April 2017

Molecular dynamics simulations and docking enable to explore the biophysical factors controlling the yields of engineered nanobodies.

Sci Rep 2016 10 10;6:34869. Epub 2016 Oct 10.

MOlecular NAnotechnology for LIfe Science Applications (MoNaLiSA) Theory Group, Department of Medical and Biological Sciences, University of Udine, Piazzale Kolbe 4, 33100 Udine, Italy.

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http://dx.doi.org/10.1038/srep34869DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5056509PMC
October 2016

Phase behaviour of self-assembled monolayers controlled by tuning physisorbed and chemisorbed states: A lattice-model view.

J Chem Phys 2016 Apr;144(13):134707

Department of Chemical and Process Engineering, University of Strathclyde, 75 Montrose Street, Glasgow G1 1XJ, United Kingdom.

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http://dx.doi.org/10.1063/1.4944936DOI Listing
April 2016

Accurate Estimation of the Entropy of Rotation-Translation Probability Distributions.

J Chem Theory Comput 2016 Jan 10;12(1):1-8. Epub 2015 Dec 10.

Dipartimento di Scienze Mediche e Biologiche (DSMB), University of Udine , Piazzale Kolbe 4, 33100 Udine, Italy.

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http://dx.doi.org/10.1021/acs.jctc.5b00731DOI Listing
January 2016

Chelating effect in short polymers for the design of bidentate binders of increased affinity and selectivity.

Sci Rep 2015 Oct 26;5:15633. Epub 2015 Oct 26.

MOlecular NAnotechnology for LIfe Science Applications Theory Group, Department of Medical and Biological Sciences, University of Udine, Italy.

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http://dx.doi.org/10.1038/srep15633DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4620483PMC
October 2015

Distance-Based Configurational Entropy of Proteins from Molecular Dynamics Simulations.

PLoS One 2015 15;10(7):e0132356. Epub 2015 Jul 15.

Dipartimento di Scienze Mediche e Biologiche, Universita' di Udine, Piazzale Kolbe 4, 33100 Udine, Italy; Istituto Nazionale Biostrutture e Biosistemi, Viale medaglie d'Oro 305, 00136 Roma, Italy.

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http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0132356PLOS
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4503633PMC
May 2016

Structural phases of ordered FePc-nanochains self-assembled on Au(110).

Langmuir 2012 Sep 7;28(37):13232-40. Epub 2012 Sep 7.

Dipartimento di Fisica, Università di Roma La Sapienza, Piazzale Aldo Moro 2, I-00185 Roma, Italy.

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http://dx.doi.org/10.1021/la302192nDOI Listing
September 2012

Polymer vesicles with a colloidal armor of nanoparticles.

J Am Chem Soc 2011 Feb 26;133(7):2151-3. Epub 2011 Jan 26.

Department of Chemistry, University of Warwick, Coventry CV4 7AL, UK.

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http://dx.doi.org/10.1021/ja110359fDOI Listing
February 2011

Agent-based modeling for the 2D molecular self-organization of realistic molecules.

J Phys Chem B 2010 Aug;114(31):10151-9

Department of Chemistry and Centre for Scientific Computing, Warwick University, Coventry, United Kingdom.

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http://dx.doi.org/10.1021/jp103950mDOI Listing
August 2010

Hexagonal lattice model of the patterns formed by hydrogen-bonded molecules on the surface.

J Phys Chem B 2010 Feb;114(5):1849-58

Department of Chemistry and Centre for Scientific Computing, University of Warwick, Coventry, United Kingdom.

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http://dx.doi.org/10.1021/jp9098649DOI Listing
February 2010

An artificial intelligence approach for modeling molecular self-assembly: agent-based simulations of rigid molecules.

J Phys Chem B 2009 Jul;113(29):9877-85

Department of Chemistry and Centre for Scientific Computing, University of Warwick, CV4 7AL, Coventry, UK.

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http://dx.doi.org/10.1021/jp9030442DOI Listing
July 2009

Packing patterns of silica nanoparticles on surfaces of armored polystyrene latex particles.

Langmuir 2009 Nov;25(21):12399-403

Department of Chemistry, University of Warwick, Coventry CV4 7AL, UK.

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http://dx.doi.org/10.1021/la9010289DOI Listing
November 2009