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Macchiagodena, Marina
51  Ergebnisse:
Personensuche X
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1

The Role of Lysozyme in the Formation of Bioinspired Silico..:

Macchiagodena, Marina ; Fragai, Marco ; Gallo, Angelo..
Chemistry – A European Journal.  , 2024
Link: https://doi.org/10.1002/..
 
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2

Front Cover: Identification of Potential Inhibitors of the ..:

Di Paco, Giorgio ; Macchiagodena, Marina ; Procacci, Piero
ChemMedChem.  19 (2024)  10 - p. , 2024
Link: https://doi.org/10.1002/..
 
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3

Identification of Potential Inhibitors of the SARS‐CoV‐2 NS..:

Di Paco, Giorgio ; Macchiagodena, Marina ; Procacci, Piero
ChemMedChem.  19 (2024)  10 - p. , 2024
Link: https://doi.org/10.1002/..
 
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4

NE‐RDFE: A protocol and toolkit for computing relative diss..:

Macchiagodena, Marina ; Pagliai, Marco ; Procacci, Piero
Journal of Computational Chemistry.  44 (2023)  12 - p. 1221-1230 , 2023
Link: https://doi.org/10.1002/..
 
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5

Upgrading of the general AMBER force field 2 for fluorinate..:

Casoria, Michele ; Macchiagodena, Marina ; Rovero, Paolo...
Journal of Peptide Science.  30 (2023)  2 - p. , 2023
Link: https://doi.org/10.1002/..
 
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6

Probing Liquid-Ordered and Disordered Phases in Lipid Model..:

Del Frate, Gianluca ; Macchiagodena, Marina ; Akhunzada, Muhammad Jan...
The Journal of Physical Chemistry B.  126 (2022)  2 - p. 480-491 , 2022
Link: https://doi.org/10.1021/..
 
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7

2-Butanol Aqueous Solutions: A Combined Molecular Dynamics ..:

Macchiagodena, Marina ; Bassu, Gavino ; Vettori, Irene...
The Journal of Physical Chemistry A.  126 (2022)  47 - p. 8826-8833 , 2022
Link: https://doi.org/10.1021/..
 
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8

Characterization of the non-covalent interaction between th..:

Macchiagodena, Marina ; Pagliai, Marco ; Procacci, Piero
Journal of Molecular Graphics and Modelling.  110 (2022)  - p. 108042 , 2022
Link: https://doi.org/10.1016/..
 
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9

Conformational and solvent effects in structural and spectr..:

Vettori, Irene ; Macchiagodena, Marina ; Pagliai, Marco...
Journal of Molecular Liquids.  360 (2022)  - p. 119428 , 2022
Link: https://doi.org/10.1016/..
 
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10

Mycotoxins aptasensing: From molecular docking to electroch..:

Subak, Hasret ; Selvolini, Giulia ; Macchiagodena, Marina...
Bioelectrochemistry.  138 (2021)  - p. 107691 , 2021
Link: https://doi.org/10.1016/..
 
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11

Virtual Double-System Single-Box for Absolute Dissociation ..:

Macchiagodena, Marina ; Karrenbrock, Maurice ; Pagliai, Marco.
Journal of Chemical Information and Modeling.  61 (2021)  11 - p. 5320-5326 , 2021
Link: https://doi.org/10.1021/..
 
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12

On the NS-DSSB unidirectional estimates in the SAMPL6 SAMPL..:

Procacci, Piero ; Macchiagodena, Marina
Journal of Computer-Aided Molecular Design.  35 (2021)  10 - p. 1055-1065 , 2021
Link: https://doi.org/10.1007/..
 
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13

Adsorption Geometry of Alizarin on Silver Nanoparticles: A ..:

Gellini, Cristina ; Macchiagodena, Marina ; Pagliai, Marco
Nanomaterials.  11 (2021)  4 - p. 860 , 2021
Link: https://doi.org/10.3390/..
 
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14

Virtual Double-System Single-Box: A Nonequilibrium Alchemic..:

Macchiagodena, Marina ; Pagliai, Marco ; Karrenbrock, Maurice...
Journal of Chemical Theory and Computation.  16 (2020)  11 - p. 7160-7172 , 2020
Link: https://doi.org/10.1021/..
 
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15

Identification of potential binders of the main protease 3C..:

Macchiagodena, Marina ; Pagliai, Marco ; Procacci, Piero
Chemical Physics Letters.  750 (2020)  - p. 137489 , 2020
Link: https://doi.org/10.1016/..
 
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