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1

Multiscale molecular modeling in nanostructured material design and process system engineering

Maurizio Fermeglia, Sabrina Pricl

Journal:

Computers & Chemical Engineering

Year:

2009

Language:

english

File:

PDF, 1.51 MB

english, 2009

2

Activity of Mannich bases of 7-hydroxycoumarin against Flaviviridae

Mauro Mazzei, Erika Nieddu, Mariangela Miele, Alessandro Balbi, Marco Ferrone, Maurizio Fermeglia, Marco T. Mazzei, Sabrina Pricl, Paolo La Colla, Fabio Marongiu, Cristina Ibba, Roberta Loddo

Journal:

Bioorganic & Medicinal Chemistry

Year:

2008

Language:

english

File:

PDF, 415 KB

english, 2008

3

Hydrogen sulphide removal from biogas by zeolite adsorption: Part I. GCMC molecular simulations

Paolo Cosoli, Marco Ferrone, Sabrina Pricl, Maurizio Fermeglia

Journal:

Chemical Engineering Journal

Year:

2008

Language:

english

File:

PDF, 1.25 MB

english, 2008

4

Host–guest inclusion complexes between anticancer drugs and β-cyclodextrin: computational studies

M. Fermeglia, M. Ferrone, A. Lodi, S. Pricl

Journal:

Carbohydrate Polymers

Year:

2003

Language:

english

File:

PDF, 1.33 MB

english, 2003

5

Multiscale modeling of protein transport in silicon membrane nanochannels. Part 1. Derivation of molecular parameters from computer simulations

Sabrina Pricl, Marco Ferrone, Maurizio Fermeglia, Francesco Amato, Carlo Cosentino, Mark Ming-Cheng Cheng, Robert Walczak, Mauro Ferrari

Journal:

Biomedical Microdevices

Year:

2006

Language:

english

File:

PDF, 743 KB

english, 2006

6

Multiscale modeling of protein transport in silicon membrane nanochannels. Part 2. From molecular parameters to a predictive continuum diffusion model

Francesco Amato, Carlo Cosentino, Sabrina Pricl, Marco Ferrone, Maurizio Fermeglia, Mark Ming-Cheng Cheng, Robert Walczak, Mauro Ferrari

Journal:

Biomedical Microdevices

Year:

2006

Language:

english

File:

PDF, 508 KB

english, 2006

7

Synergistic experimental/computational studies on arylazoenamine derivatives that target the bovine viral diarrhea virus RNA-dependent RNA polymerase

Gabriele Giliberti, Cristina Ibba, Esther Marongiu, Roberta Loddo, Michele Tonelli, Vito Boido, Erik Laurini, Paola Posocco, Maurizio Fermeglia, Sabrina Pricl

Journal:

Bioorganic & Medicinal Chemistry

Year:

2010

Language:

english

File:

PDF, 1.73 MB

english, 2010

8

Hydrogen sulfide removal from biogas by zeolite adsorption. Part II. MD simulations

Paolo Cosoli, Marco Ferrone, Sabrina Pricl, Maurizio Fermeglia

Journal:

Chemical Engineering Journal

Year:

2008

Language:

english

File:

PDF, 709 KB

english, 2008

9

Synergistic gelation of xanthan gum with locust bean gum: a rheological investigation

Giuliano Copetti, Mario Grassi, Romano Lapasin, Sabrina Pricl

Journal:

Glycoconjugate Journal

Year:

1997

Language:

english

File:

PDF, 670 KB

english, 1997

10

Consumer outrage: Emotional reactions to unethical corporate behavior

Jörg Lindenmeier, Christoph Schleer, Denise Pricl

Journal:

Journal of Business Research

Year:

2012

Language:

english

File:

PDF, 546 KB

english, 2012

11

Targeted Therapies: The Rare Cancer Paradigm

Marco A. Pierotti, Tiziana Negri, Elena Tamborini, Federica Perrone, Sabrina Pricl, Silvana Pilotti

Journal:

Molecular Oncology

Year:

2010

Language:

english

File:

PDF, 1.51 MB

english, 2010

12

Self-Assembly of Nanoparticle Mixtures in Diblock Copolymers: Multiscale Molecular Modeling

Maly, Marek, Posocco, Paola, Pricl, Sabrina, Fermeglia, Maurizio

Journal:

Industrial & Engineering Chemistry Research

Year:

2008

Language:

english

File:

PDF, 10.78 MB

english, 2008

13

Rheology of Industrial Polysaccharides: Theory and Applications ||

Lapasin, Romano, Pricl, Sabrina

Year:

1995

Language:

english

File:

PDF, 74.98 MB

english, 1995

14

Target sequencing approach intended to discover new mutations in non-syndromic intellectual disability

Morgan, Anna, Gandin, Ilaria, Belcaro, Chiara, Palumbo, Pietro, Palumbo, Orazio, Biamino, Elisa, Dal Col, Valentina, Laurini, Erik, Pricl, Sabrina, Bosco, Paolo, Carella, Massimo, Ferrero, Giovanni Ba

Journal:

Mutation Research/Fundamental and Molecular Mechanisms of Mutagenesis

Year:

2015

Language:

english

File:

PDF, 1.12 MB

english, 2015

15

Effect of buffer at nanoscale molecular recognition interfaces – electrostatic binding of biological polyanions

Rodrigo, Ana C., Laurini, Erik, Vieira, Vânia M. P., Pricl, Sabrina, Smith, David K.

Journal:

Chemical Communications

Year:

2017

Language:

english

File:

PDF, 1.60 MB

english, 2017

16

Bridging the gap across scales: Coupling CFD and MD/GCMC in polyurethane foam simulation

Karimi, Mohsen, Marchisio, Daniele, Laurini, Erik, Fermeglia, Maurizio, Pricl, Sabrina

Journal:

Chemical Engineering Science

Year:

2018

Language:

english

File:

PDF, 1.05 MB

english, 2018

17

Self-Assembled Nanomicelles as Curcumin Drug Delivery Vehicles – Impact on Solitary Fibrous Tumor Cell Protein Expression and Viability

Dagrada, Gianpaolo, Rupel, Katia, Zacchigna, Serena, Tamborini, Elena, Pilotti, Silvana, Cavalleri, Adalberto, Fechner, Loryn E., Laurini, Erik, Smith, David K., Brich, Silvia, Pricl, Sabrina

Journal:

Molecular Pharmaceutics

Year:

2018

Language:

english

File:

PDF, 19.38 MB

english, 2018

18

Design of non-structural components for marine engines based on nano-engineered thermoplastic polymers

Bertagn, Serena, Laurini, Erik, Marinò, Alberto, Nasso, Carlo, Pricl, Sabrina, Bucci, Vittorio

Journal:

International Shipbuilding Progress

Year:

2019

Language:

english

File:

PDF, 942 KB

english, 2019

19

Efficient and innocuous delivery of small interfering RNA to microglia using an amphiphilic dendrimer nanovector

Ellert-Miklaszewska, Aleksandra, Ochocka, Natalia, Maleszewska, Marta, Ding, Ling, Laurini, Erik, Jiang, Yifan, Roura, Adria-Jaume, Giorgio, Suzanne, Gielniewski, Bartlomiej, Pricl, Sabrina, Peng, Lin

Journal:

Year:

2019

Language:

english

File:

PDF, 3.97 MB

english, 2019

20

Role of Rad51 and DNA repair in cancer: A molecular perspective

Laurini, Erik, Marson, Domenico, Fermeglia, Alice, Aulic, Suzana, Fermeglia, Maurizio, Pricl, Sabrina

Journal:

Pharmacology & Therapeutics

Year:

2020

Language:

english

File:

PDF, 13.03 MB

english, 2020

21

Determination of Six Pesticides in the Medicinal Herb Cordia salicifolia by Matrix Solid-Phase Dispersion and Gas Chromatography/Mass Spectrometry

De Carvalho, Pedro Henrique Viana, De Menezes Prata, Vanessa, Alves, Pricles Barreto, Navickiene, Sandro

Journal:

Journal of AOAC International

Year:

2009

Language:

english

File:

PDF, 204 KB

english, 2009

22

An ionizable supramolecular dendrimer nanosystem for effective siRNA delivery with a favorable safety profile

Dhumal, Dinesh, Lan, Wenjun, Ding, Ling, Jiang, Yifan, Lyu, Zhenbin, Laurini, Erik, Marson, Domenico, Tintaru, Aura, Dusetti, Nelson, Giorgio, Suzanne, Iovanna, Juan Lucio, Pricl, Sabrina, Peng, Ling

Journal:

Year:

2020

File:

PDF, 2.33 MB

2020

23

Chemo-Enzymatic Synthesis and Determination of the Absolute Configuration of Both Enantiomers of Methyl trans-5-Oxo-2-pentylpyrrolidine-3-carboxylate Precursors of the Aza Analogues of (+)- and (−)-Methylenolactocin

Fulvia Felluga, Maurizio Fermeglia, Marco Ferrone, Giuliana Pitacco, Sabrina Pricl, Ennio Valentin

Journal:

Helvetica Chimica Acta

Year:

2002

Language:

english

File:

PDF, 144 KB

english, 2002

24

Equation-of-state parameters for pure polymers by molecular dynamics simulations

Maurizio Fermeglia, Sabrina Pricl

Journal:

Year:

1999

Language:

english

File:

PDF, 137 KB

english, 1999

25

Prediction of phase equilibria for binary mixtures by molecular modeling

Maurizio Fermeglia, Sabrina Pricl

Journal:

Year:

2001

Language:

english

File:

PDF, 1.17 MB

english, 2001

26

Carboxymethyl starch: A rheological study

Romano Lapasin, Sabrina Pricl, Paolo Tracanelli

Journal:

Journal of Applied Polymer Science

Year:

1992

Language:

english

File:

PDF, 694 KB

english, 1992

27

A Complete Multiscale Modelling Approach for Polymer–Clay Nanocomposites

Giulio Scocchi, Paola Posocco, Jan-Willem Handgraaf, Johannes G. E. M. Fraaije, Maurizio Fermeglia, Sabrina Pricl

Journal:

Chemistry - A European Journal

Year:

2009

Language:

english

File:

PDF, 977 KB

english, 2009

28

Quantifying the Effect of Surface Ligands on Dendron–DNA Interactions: Insights into Multivalency through a Combined Experimental and Theoretical Approach

Simon P. Jones, Giovanni M. Pavan, Andrea Danani, Sabrina Pricl, David K. Smith

Journal:

Chemistry - A European Journal

Year:

2010

Language:

english

File:

PDF, 872 KB

english, 2010

29

PAMAM Dendrimers for siRNA Delivery: Computational and Experimental Insights

Giovanni Maria Pavan, Paola Posocco, Aaron Tagliabue, Marek Maly, Anastasia Malek, Andrea Danani, Enzio Ragg, Carlo V. Catapano, Sabrina Pricl

Journal:

Chemistry - A European Journal

Year:

2010

Language:

english

File:

PDF, 1.28 MB

english, 2010

30

The rise and fall of gatekeeper mutations? The BCR-ABL1 T315I paradigm

Don L. Gibbons, Sabrina Pricl, Hagop Kantarjian, Jorge Cortes, Alfonso Quintás-Cardama

Journal:

Year:

2012

Language:

english

File:

PDF, 251 KB

english, 2012

31

Process Simulation for Molten Carbonate Fuel Cells

M. Fermeglia, A. Cudicio, G. DeSimon, G. Longo, S. Pricl

Journal:

Year:

2005

Language:

english

File:

PDF, 953 KB

english, 2005

32

Imatinib response in two GIST patients carrying two hitherto functionally uncharacterized PDGFRA mutations: An imaging, biochemical and molecular modeling study

Palma Dileo, Sabrina Pricl, Elena Tamborini, Tiziana Negri, Silvia Stacchiotti, Alessandro Gronchi, Paola Posocco, Erik Laurini, Paola Coco, Elena Fumagalli, Paolo G. Casali, Silvana Pilotti

Journal:

International Journal of Cancer

Year:

2011

Language:

english

File:

PDF, 534 KB

english, 2011

33

Poly(amidoamine)-based Dendrimer/siRNA Complexation Studied by Computer Simulations: Effects of pH and Generation on Dendrimer Structure and siRNA Binding

Kostas Karatasos, Paola Posocco, Erik Laurini, Sabrina Pricl

Journal:

Macromolecular Bioscience

Year:

2012

Language:

english

File:

PDF, 1.34 MB

english, 2012

34

Rheology of hydroxyethyl guar gum derivatives

Romano Lapasin, Sabrina Pricl, Paolo Tracanelli

Journal:

Carbohydrate Polymers

Year:

1991

Language:

english

File:

PDF, 717 KB

english, 1991

35

Rheology of culture broths and exopolysaccharide of Cyanospira capsulata at different stages of growth

Romano Lapasin, Sabrina Pricl, Claudia Bertocchi, Luciano Navarini, Attilio Cesaro, Roberto De Philippis

Journal:

Carbohydrate Polymers

Year:

1992

Language:

english

File:

PDF, 896 KB

english, 1992

36

Flow properties of hydroxypropyl guar gum and its long-chain hydrophobic derivatives

Romano Lapasin, Lorenzo De Lorenzi, Sabrina Pricl, Giovanni Torriano

Journal:

Carbohydrate Polymers

Year:

1995

Language:

english

File:

PDF, 907 KB

english, 1995

37

Controlled release of theophylline from water-swollen scleroglucan matrices

Alessandra Adrover, Massimiliano Giona, Mario Grassi, Romano Lapasin, Sabrina Pricl

Journal:

Journal of Membrane Science

Year:

1996

Language:

english

File:

PDF, 661 KB

english, 1996

38

Antimycobacterial activity of new 3-substituted 5-(pyridin-4-yl)-3H-1,3,4-oxadiazol-2-one and 2-thione derivatives. Preliminary molecular modeling investigations

Maria Grazia Mamolo, Daniele Zampieri, Luciano Vio, Maurizio Fermeglia, Marco Ferrone, Sabrina Pricl, Giuditta Scialino, Elena Banfi

Journal:

Bioorganic & Medicinal Chemistry

Year:

2005

Language:

english

File:

PDF, 345 KB

english, 2005

39

To the nanoscale, and beyond!: Multiscale molecular modeling of polymer-clay nanocomposites

Giulio Scocchi, Paola Posocco, Andrea Danani, Sabrina Pricl, Maurizio Fermeglia

Journal:

Fluid Phase Equilibria

Year:

2007

Language:

english

File:

PDF, 1.02 MB

english, 2007

40

Many-scale molecular simulation for ABS–MMT nanocomposites: Upgrading of industrial scraps

Paolo Cosoli, Giulio Scocchi, Sabrina Pricl, Maurizio Fermeglia

Journal:

Microporous and Mesoporous Materials

Year:

2008

Language:

english

File:

PDF, 1.05 MB

english, 2008

41

Design, synthesis, and preliminary in vitro and in silico antiviral activity of [4,7]phenantrolines and 1-oxo-1,4-dihydro-[4,7]phenantrolines against single-stranded positive-sense RNA genome viruses

Antonio Carta, Mario Loriga, Giuseppe Paglietti, Marco Ferrone, Maurizio Fermeglia, Sabrina Pricl, Tiziana Sanna, Cristina Ibba, Paolo La Colla, Roberta Loddo

Journal:

Bioorganic & Medicinal Chemistry

Year:

2007

Language:

english

File:

PDF, 729 KB

english, 2007

42

Synthesis, antifungal and antimycobacterial activities of new bis-imidazole derivatives, and prediction of their binding to P45014DM by molecular docking and MM/PBSA method

Daniele Zampieri, Maria Grazia Mamolo, Luciano Vio, Elena Banfi, Giuditta Scialino, Maurizio Fermeglia, Marco Ferrone, Sabrina Pricl

Journal:

Bioorganic & Medicinal Chemistry

Year:

2007

Language:

english

File:

PDF, 1.31 MB

english, 2007

43

Antimicrobial and cytotoxic arylazoenamines. Part III: Antiviral activity of selected classes of arylazoenamines

Michele Tonelli, Vito Boido, Caterina Canu, Anna Sparatore, Fabio Sparatore, Maria Silvia Paneni, Maurizio Fermeglia, Sabrina Pricl, Paolo La Colla, Laura Casula, Cristina Ibba, David Collu, Roberta L

Journal:

Bioorganic & Medicinal Chemistry

Year:

2008

Language:

english

File:

PDF, 726 KB

english, 2008

44

Antimycobacterial activity of new 3,5-disubstituted 1,3,4-oxadiazol-2(3H)-one derivatives. Molecular modeling investigations

Daniele Zampieri, Maria Grazia Mamolo, Erik Laurini, Maurizio Fermeglia, Paola Posocco, Sabrina Pricl, Elena Banfi, Giuditta Scialino, Luciano Vio

Journal:

Bioorganic & Medicinal Chemistry

Year:

2009

Language:

english

File:

PDF, 3.65 MB

english, 2009

45

A 3D-pharmacophore model for σ2 receptors based on a series of substituted benzo[d]oxazol-2(3H)-one derivatives

Erik Laurini, Daniele Zampieri, Maria Grazia Mamolo, Luciano Vio, Caterina Zanette, Chiara Florio, Paola Posocco, Maurizio Fermeglia, Sabrina Pricl

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2010

Language:

english

File:

PDF, 530 KB

english, 2010

46

Sodium montmorillonite silylation: Unexpected effect of the aminosilane chain length

Filomena Piscitelli, Paola Posocco, Radovan Toth, Maurizio Fermeglia, Sabrina Pricl, Giuseppe Mensitieri, Marino Lavorgna

Journal:

Journal of Colloid and Interface Science

Year:

2010

Language:

english

File:

PDF, 1.14 MB

english, 2010

47

Computer simulation of polypropylene/organoclay nanocomposites: characterization of atomic scale structure and prediction of binding energy

Radovan Toth, Alessandro Coslanich, Marco Ferrone, Maurizio Fermeglia, Sabrina Pricl, Stanislav Miertus, Emo Chiellini

Journal:

Year:

2004

Language:

english

File:

PDF, 529 KB

english, 2004

48

PET/PEN blends of industrial interest as barrier materials. Part I. Many-scale molecular modeling of PET/PEN blends

Maurizio Fermeglia, Paolo Cosoli, Marco Ferrone, Stefano Piccarolo, Giuseppe Mensitieri, Sabrina Pricl

Journal:

Year:

2006

Language:

english

File:

PDF, 500 KB

english, 2006

49

Scaling properties in the molecular structure of three-dimensional, nanosized phenylene-based dendrimers as studied by atomistic molecular dynamics simulations

Sabrina Pricl, Maurizio Fermeglia, Marco Ferrone, Andrea Asquini

Journal:

Year:

2003

Language:

english

File:

PDF, 1.52 MB

english, 2003

50

Development of an all-atoms force field from ab initio calculations for alternative refrigerants

Maurizio Fermeglia, Marco Ferrone, Sabrina Pricl

Journal:

Fluid Phase Equilibria

Year:

2003

Language:

english

File:

PDF, 106 KB

english, 2003

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