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Capelli, Riccardo
319  Ergebnisse:
Personensuche X
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1

Optimizing biophysical predictor selection for katanin allo..:

Kelly, Maria S. ; Capelli, Riccardo ; Kahawatte, Shehani...
Biophysical Journal.  123 (2024)  3 - p. 273a , 2024
Link: https://doi.org/10.1016/..
 
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2

Calcium-Driven In Silico Inactivation of a Human Olfactory ..:

Pirona, Lorenza ; Ballabio, Federico ; Alfonso-Prieto, Mercedes.
Journal of Chemical Information and Modeling.  64 (2024)  8 - p. 2971-2978 , 2024
Link: https://doi.org/10.1021/..
 
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3

Proton Affinity and Conformational Integrity of a 24-Atom T..:

Menke, Alexander J. ; Jacobus, Zachary P. ; Claton, Liam E....
The Journal of Organic Chemistry.  89 (2024)  4 - p. 2467-2473 , 2024
Link: https://doi.org/10.1021/..
 
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4

Accurate and Efficient SAXS/SANS Implementation Including S..:

Ballabio, Federico ; Paissoni, Cristina ; Bollati, Michela...
Journal of Chemical Theory and Computation.  19 (2023)  22 - p. 8401-8413 , 2023
Link: https://doi.org/10.1021/..
 
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5

Automatic Optimization of Lipid Models in the Martini Force..:

Empereur-mot, Charly ; Pedersen, Kasper B. ; Capelli, Riccardo...
Journal of Chemical Information and Modeling.  63 (2023)  12 - p. 3827-3838 , 2023
Link: https://doi.org/10.1021/..
 
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6

Metadynamics simulations of ligands binding to protein surf..:

Zuo, Ke ; Kranjc, Agata ; Capelli, Riccardo...
Physical Chemistry Chemical Physics.  25 (2023)  20 - p. 13819-13824 , 2023
Link: https://doi.org/10.1039/..
 
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7

Lessons Learned from Multiobjective Automatic Optimizations..:

Perrone, Mattia ; Capelli, Riccardo ; Empereur-mot, Charly..
Journal of Chemical & Engineering Data.  68 (2023)  12 - p. 3228-3241 , 2023
Link: https://doi.org/10.1021/..
 
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8

Predictions of the Poses and Affinity of a Ligand over the ..:

Zuo, Ke ; Capelli, Riccardo ; Rossetti, Giulia..
Journal of Chemical Information and Modeling.  63 (2023)  2 - p. 643-654 , 2023
Link: https://doi.org/10.1021/..
 
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9

Multi-eGO: Model Improvements toward the Study of Complex S..:

Bačić Toplek, Fran ; Scalone, Emanuele ; Stegani, Bruno...
Journal of Chemical Theory and Computation.  20 (2023)  1 - p. 459-468 , 2023
Link: https://doi.org/10.1021/..
 
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10

Atomistic Insights into Hydrogen-Bonded Supramolecular Caps..:

Capelli, Riccardo ; Piccini, GiovanniMaria
The Journal of Physical Chemistry C.  128 (2023)  1 - p. 635-641 , 2023
Link: https://doi.org/10.1021/..
 
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11

A Model for the Rapid Assessment of Solution Structures for..:

Menke, Alexander J. ; Gloor, Camryn J. ; Claton, Liam E....
The Journal of Organic Chemistry.  88 (2023)  5 - p. 2692-2702 , 2023
Link: https://doi.org/10.1021/..
 
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12

Self-assembly of cyclic peptide monolayers by hydrophobic s..:

Insua, Ignacio ; Cardellini, Annalisa ; Díaz, Sandra...
Chemical Science.  14 (2023)  48 - p. 14074-14081 , 2023
Link: https://doi.org/10.1039/..
 
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13

Machine Learning-Based Modeling of Olfactory Receptors in T..:

Alfonso-Prieto, Mercedes ; Capelli, Riccardo
Journal of Chemical Information and Modeling.  63 (2023)  10 - p. 2911-2917 , 2023
Link: https://doi.org/10.1021/..
 
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14

Automatic multi-objective optimization of coarse-grained li..:

Empereur-mot, Charly ; Capelli, Riccardo ; Perrone, Mattia...
The Journal of Chemical Physics.  156 (2022)  2 - p. , 2022
Link: https://doi.org/10.1063/..
 
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15

Enhanced-Sampling Simulations for the Estimation of Ligand ..:

Ahmad, Katya ; Rizzi, Andrea ; Capelli, Riccardo...
Frontiers in Molecular Biosciences.  9 (2022)  - p. , 2022
Link: https://doi.org/10.3389/..
 
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