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Orioli, Simone
43  results:
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1

Fitting Force Field Parameters to NMR Relaxation Data:

Kümmerer, Felix ; Orioli, Simone ; Lindorff-Larsen, Kresten
Journal of Chemical Theory and Computation.  19 (2023)  12 - p. 3741-3751 , 2023
Link: https://doi.org/10.1021/..
 
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2

Double Mutant of Chymotrypsin Inhibitor 2 Stabilized throug..:

Gavrilov, Yulian ; Kümmerer, Felix ; Orioli, Simone...
Biochemistry.  61 (2022)  3 - p. 160-170 , 2022
Link: https://doi.org/10.1021/..
 
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3

Structural and Biophysical Properties of Supercharged and C..:

Johansen, Nicolai Tidemand ; Luchini, Alessandra ; Tidemand, Frederik Grønbæk...
Langmuir.  37 (2021)  22 - p. 6681-6690 , 2021
Link: https://doi.org/10.1021/..
 
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4

Fitting Side-Chain NMR Relaxation Data Using Molecular Simu..:

Kümmerer, Felix ; Orioli, Simone ; Harding-Larsen, David...
Journal of Chemical Theory and Computation.  17 (2021)  8 - p. 5262-5275 , 2021
Link: https://doi.org/10.1021/..
 
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5

Pharmacological inactivation of the prion protein by target..:

Spagnolli, Giovanni ; Massignan, Tania ; Astolfi, Andrea...
Communications Biology.  4 (2021)  1 - p. , 2021
Link: https://doi.org/10.1038/..
 
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6

Ab initio determination of the shape of membrane proteins i..:

Orioli, Simone ; Henning Hansen, Carl G. ; Arleth, Lise
Acta Crystallographica Section D Structural Biology.  77 (2021)  2 - p. 176-193 , 2021
Link: https://doi.org/10.1107/..
 
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7

Full atomistic model of prion structure and conversion:

Spagnolli, Giovanni ; Rigoli, Marta ; Orioli, Simone...
PLOS Pathogens.  15 (2019)  7 - p. e1007864 , 2019
Link: https://doi.org/10.1371/..
 
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8

Allostery in Its Many Disguises: From Theory to Application:

Wodak, Shoshana J. ; Paci, Emanuele ; Dokholyan, Nikolay V....
Structure.  27 (2019)  4 - p. 566-578 , 2019
Link: https://doi.org/10.1016/..
 
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9

Assessment of groundwater geochemistry and diffusion of hex..:

Tiwari, Ashwani Kumar ; Orioli, Simone ; De Maio, Marina
Journal of Contaminant Hydrology.  225 (2019)  - p. 103503 , 2019
Link: https://doi.org/10.1016/..
 
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10

Atomic Detail of Protein Folding Revealed by an Ab Initio R..:

Ianeselli, Alan ; Orioli, Simone ; Spagnolli, Giovanni...
Journal of the American Chemical Society.  140 (2018)  10 - p. 3674-3682 , 2018
Link: https://doi.org/10.1021/..
 
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11

Transient exposure of a buried phosphorylation site in an a..:

Orioli, Simone ; Henning Hansen, Carl G ; Lindorff-Larsen, Kresten
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8758417/.  , 2022
Link: http://www.ncbi.nlm.nih...
 
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12

Pharmacological inactivation of the prion protein by target..:

Spagnolli, Giovanni ; Massignan, Tania ; Astolfi, Andrea...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7804251/.  , 2021
Link: http://www.ncbi.nlm.nih...
 
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13

Plumed files for 'Molecular simulations capture the transie..:

Orioli, Simone ; Lindorff-Larsen, Kresten
doi:10.5281/zenodo.4722697.  , 2021
Link: https://zenodo.org/recor..
 
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14

Molecular simulations and pre-analyzed data for 'Molecular ..:

Orioli, Simone ; Lindorff-Larsen, Kresten
doi:10.5281/zenodo.4719710.  , 2021
Link: https://zenodo.org/recor..
 
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15

Plumed files for 'Molecular simulations capture the transie..:

Orioli, Simone ; Lindorff-Larsen, Kresten
doi:10.5281/zenodo.4722697.  , 2021
Link: https://zenodo.org/recor..
 
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