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Bernetti, Mattia
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1

Similarities and Differences in Ligand Binding to Protein a..:

Bosio, Stefano ; Bernetti, Mattia ; Rocchia, Walter.
Journal of Chemical Information and Modeling.  64 (2024)  11 - p. 4570-4586 , 2024
Link: https://doi.org/10.1021/..
 
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2

Probing allosteric communication with combined molecular dy..:

Bernetti, Mattia ; Bosio, Stefano ; Bresciani, Veronica..
Current Opinion in Structural Biology.  86 (2024)  - p. 102820 , 2024
Link: https://doi.org/10.1016/..
 
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3

Simultaneous refinement of molecular dynamics ensembles and..:

Fröhlking, Thorben ; Bernetti, Mattia ; Bussi, Giovanni
The Journal of Chemical Physics.  158 (2023)  21 - p. , 2023
Link: https://doi.org/10.1063/..
 
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4

Integrating experimental data with molecular simulations to..:

Bernetti, Mattia ; Bussi, Giovanni
Current Opinion in Structural Biology.  78 (2023)  - p. 102503 , 2023
Link: https://doi.org/10.1016/..
 
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5

Molecular Dynamics Simulations of Chemically Modified Ribon..:

, In: RNA Technologies; RNA Structure and Function,
Piomponi, Valerio ; Bernetti, Mattia ; Bussi, Giovanni - p. 595-612 , 2023
Link: https://doi.org/10.1007/..
 
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6

Molecular Dynamics Simulations with Grand-Canonical Reweigh..:

Calonaci, Nicola ; Bernetti, Mattia ; Jones, Alisha..
Journal of Chemical Theory and Computation.  19 (2023)  12 - p. 3672-3685 , 2023
Link: https://doi.org/10.1021/..
 
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7

On the allosteric puzzle and pocket crosstalk through compu..:

Aguti, Riccardo ; Bernetti, Mattia ; Bosio, Stefano..
The Journal of Chemical Physics.  158 (2023)  16 - p. , 2023
Link: https://doi.org/10.1063/..
 
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8

Molecular Dynamics of Solids at Constant Pressure and Stres..:

Del Tatto, Vittorio ; Raiteri, Paolo ; Bernetti, Mattia.
Applied Sciences.  12 (2022)  3 - p. 1139 , 2022
Link: https://doi.org/10.3390/..
 
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9

Molecular Simulations Matching Denaturation Experiments for..:

Piomponi, Valerio ; Fröhlking, Thorben ; Bernetti, Mattia.
ACS Central Science.  8 (2022)  8 - p. 1218-1228 , 2022
Link: https://doi.org/10.1021/..
 
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10

Computational drug discovery under RNA times:

Bernetti, Mattia ; Aguti, Riccardo ; Bosio, Stefano...
QRB Discovery.  3 (2022)  - p. , 2022
Link: https://doi.org/10.1017/..
 
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11

Comparing state-of-the-art approaches to back-calculate SAX..:

Bernetti, Mattia ; Bussi, Giovanni
The European Physical Journal B.  94 (2021)  9 - p. , 2021
Link: https://doi.org/10.1140/..
 
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12

Reweighting of molecular simulations with explicit-solvent ..:

Bernetti, Mattia ; Hall, Kathleen B ; Bussi, Giovanni
Nucleic Acids Research.  49 (2021)  14 - p. e84-e84 , 2021
Link: https://doi.org/10.1093/..
 
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13

Toward empirical force fields that match experimental obser..:

Fröhlking, Thorben ; Bernetti, Mattia ; Calonaci, Nicola.
The Journal of Chemical Physics.  152 (2020)  23 - p. , 2020
Link: https://doi.org/10.1063/..
 
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14

Pressure control using stochastic cell rescaling:

Bernetti, Mattia ; Bussi, Giovanni
The Journal of Chemical Physics.  153 (2020)  11 - p. , 2020
Link: https://doi.org/10.1063/..
 
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15

Data-Driven Molecular Dynamics: A Multifaceted Challenge:

Bernetti, Mattia ; Bertazzo, Martina ; Masetti, Matteo
Pharmaceuticals.  13 (2020)  9 - p. 253 , 2020
Link: https://doi.org/10.3390/..
 
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