Publications by authors named "Edoardo Milanetti"

18Publications

A novel strategy for molecular interfaces optimization: The case of Ferritin-Transferrin receptor interaction.

Comput Struct Biotechnol J 2020 24;18:2678-2686. Epub 2020 Sep 24.

Center for Life Nanoscience, Istituto Italiano di Tecnologia, Viale Regina Elena 291, 00161 Rome, Italy.

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http://dx.doi.org/10.1016/j.csbj.2020.09.020DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7548301PMC
September 2020

Structural analysis of SARS-CoV-2 genome and predictions of the human interactome.

Nucleic Acids Res 2020 11;48(20):11270-11283

Centre for Genomic Regulation (CRG), The Barcelona Institute for Science and Technology, Dr. Aiguader 88, 08003 Barcelona, Spain and Universitat Pompeu Fabra (UPF), 08003 Barcelona, Spain.

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http://dx.doi.org/10.1093/nar/gkaa864DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7672441PMC
November 2020

Molecular Dynamics Simulations Reveal Canonical Conformations in Different pMHC/TCR Interactions.

Cells 2020 04 10;9(4). Epub 2020 Apr 10.

Department of Chemistry, University of Rome Sapienza, P.le A.Moro 5-00185 Rome, Italy.

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http://dx.doi.org/10.3390/cells9040942DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7226950PMC
April 2020

Quantitative Characterization of Binding Pockets and Binding Complementarity by Means of Zernike Descriptors.

J Chem Inf Model 2020 03 25;60(3):1390-1398. Epub 2020 Feb 25.

Department of Chemistry, Sapienza University of Rome, Piazzale Aldo Moro, 5, 00185 Rome, Italy.

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http://dx.doi.org/10.1021/acs.jcim.9b01066DOI Listing
March 2020

Simulated Epidemics in 3D Protein Structures to Detect Functional Properties.

J Chem Inf Model 2020 03 12;60(3):1884-1891. Epub 2020 Feb 12.

Department of Physics, Sapienza University, Rome 00185, Italy.

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http://dx.doi.org/10.1021/acs.jcim.9b01027DOI Listing
March 2020

Optimization by response surface methodology of a dispersive magnetic solid phase extraction exploiting magnetic graphene nanocomposite coupled with UHPLC-PDA for simultaneous determination of new oral anticoagulants (NAOs) in human plasma.

J Pharm Biomed Anal 2020 Feb 21;179:112992. Epub 2019 Nov 21.

Dipartimento di Fisica - Università degli Studi "La Sapienza", P.le A. Moro, Roma, Italy; Center for Life Nano Science@Sapienza, Istituto Italiano di Tecnologia, Viale Regina Elena, Roma, Italy.

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http://dx.doi.org/10.1016/j.jpba.2019.112992DOI Listing
February 2020

Investigation of the binding between olfactory receptors and odorant molecules in C. elegans organism.

Biophys Chem 2019 12 11;255:106264. Epub 2019 Sep 11.

Center for Life Nanoscience, Istituto Italiano di Tecnologia, Viale Regina Elena 291, 00161 Rome, Italy. Electronic address:

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http://dx.doi.org/10.1016/j.bpc.2019.106264DOI Listing
December 2019

On the activation and deactivation pathways of the Lck kinase domain: a computational study.

J Comput Aided Mol Des 2019 06 10;33(6):597-603. Epub 2019 May 10.

Department of Chemistry, Sapienza University of Rome, P.le A. Moro 5, 00185, Rome, Italy.

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http://dx.doi.org/10.1007/s10822-019-00204-0DOI Listing
June 2019

Counter-regulation of regulatory T cells by autoreactive CD8 T cells in rheumatoid arthritis.

J Autoimmun 2019 05 16;99:81-97. Epub 2019 Feb 16.

Dipartimento di Medicina Interna e Specialità Mediche, Sapienza Università di Roma, 00161, Rome, Italy; Center for Life Nano Science@Sapienza, Istituto Italiano di Tecnologia, 00161, Rome, Italy; Istituto Pasteur - Fondazione Cenci Bolognetti, 00185, Rome, Italy. Electronic address:

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http://dx.doi.org/10.1016/j.jaut.2019.02.001DOI Listing
May 2019

Efficient and Accurate Modeling of Conformational Transitions in Proteins: The Case of c-Src Kinase.

J Phys Chem B 2018 09 17;122(38):8853-8860. Epub 2018 Sep 17.

Department of Molecular Medicine , Sapienza University of Rome , Viale Regina Elena 324 , 00161 Rome , Italy.

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http://pubs.acs.org/doi/10.1021/acs.jpcb.8b07155
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http://dx.doi.org/10.1021/acs.jpcb.8b07155DOI Listing
September 2018

Probing the interaction interface of the GADD45β/MKK7 and MKK7/DTP3 complexes by chemical cross-linking mass spectrometry.

Int J Biol Macromol 2018 Jul 20;114:114-123. Epub 2018 Mar 20.

Department of Environmental, Biological and Pharmaceutical Sciences and Technologies, University of Campania "Luigi Vanvitelli", 81100 Caserta, Italy. Electronic address:

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http://dx.doi.org/10.1016/j.ijbiomac.2018.03.090DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5981002PMC
July 2018

IKKα inibition by a glucosamine derivative enhances Maspin expression in osteosarcoma cell line.

Chem Biol Interact 2017 Jan 6;262:19-28. Epub 2016 Dec 6.

Dept. of Biochemical Sciences, Sapienza University of Roma, P.le Aldo Moro, 5, 00185 Roma, Italy. Electronic address:

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http://dx.doi.org/10.1016/j.cbi.2016.12.005DOI Listing
January 2017

Prediction of the permeability of neutral drugs inferred from their solvation properties.

Bioinformatics 2016 04 10;32(8):1163-9. Epub 2015 Dec 10.

Department of Physics, Sapienza Università di Roma, Rome 00185, Italy Institute Pasteur - Fondazione Cenci Bolognetti, Rome, 00161, Italy Center for Life Nano Science @Sapienza, Istituto Italiano di Tecnologia, Sapienza Università di Roma, Rome, 00185, Italy.

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http://dx.doi.org/10.1093/bioinformatics/btv725DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4824127PMC
April 2016