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Rocchia, Walter
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1

Computational Mutagenesis of Antibody Fragments: Disentangl..:

Tandiana, Rika ; Barletta, German P. ; Soler, Miguel Angel..
Journal of Chemical Theory and Computation.  , 2024
Link: https://doi.org/10.1021/..
 
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2

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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3

Designing RISC-V Instruction Set Extensions for Artificial ..:

Balasubramanian, Karthikeyan Kalyanasundaram ; Salvo, Mirco Di ; Rocchia, Walter..
IEEE Access.  12 (2024)  - p. 55925-55944 , 2024
Link: https://doi.org/10.1109/..
 
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4

GSK-3β Allosteric Inhibition: A Dead End or a New Pharmacol..:

Balboni, Beatrice ; Masi, Mirco ; Rocchia, Walter..
International Journal of Molecular Sciences.  24 (2023)  8 - p. 7541 , 2023
Link: https://doi.org/10.3390/..
 
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5

Biomolecular Electrostatic Phenomena: An Evergreen Field:

Yang, Wei ; Rocchia, Walter
The Journal of Physical Chemistry B.  127 (2023)  18 - p. 3979-3981 , 2023
Link: https://doi.org/10.1021/..
 
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6

Replica-exchange optimization of antibody fragments:

Soler, Miguel A. ; Minovski, Nikola ; Rocchia, Walter.
Computational Biology and Chemistry.  103 (2023)  - p. 107819 , 2023
Link: https://doi.org/10.1016/..
 
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7

Theoretical analysis of divalent cation effects on aptamer ..:

Douaki, Ali ; Stuber, Annina ; Hengsteler, Julian...
Chemical Communications.  59 (2023)  99 - p. 14713-14716 , 2023
Link: https://doi.org/10.1039/..
 
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8

SiteFerret: Beyond Simple Pocket Identification in Proteins:

Gagliardi, Luca ; Rocchia, Walter
Journal of Chemical Theory and Computation.  19 (2023)  15 - p. 5242-5259 , 2023
Link: https://doi.org/10.1021/..
 
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9

Smart Approach for the Design of Highly Selective Aptamer-B..:

Douaki, Ali ; Garoli, Denis ; Inam, A. K. M. Sarwar...
Biosensors.  12 (2022)  8 - p. 574 , 2022
Link: https://doi.org/10.3390/..
 
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10

The Mechanistic Understanding of RAD51 Defibrillation: A Cr..:

Schipani, Fabrizio ; Manerba, Marcella ; Marotta, Roberto...
International Journal of Molecular Sciences.  23 (2022)  15 - p. 8338 , 2022
Link: https://doi.org/10.3390/..
 
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11

Modeling of the Electrostatic Interaction and Catalytic Act..:

Ruiz-Rodríguez, Manuel Antonio ; Cooper, Christopher D. ; Rocchia, Walter...
The Journal of Physical Chemistry B.  126 (2022)  43 - p. 8777-8790 , 2022
Link: https://doi.org/10.1021/..
 
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12

A Fast and Interpretable Deep Learning Approach for Accurat..:

Reis, Pedro B.P.S. ; Bertolini, Marco ; Montanari, Floriane...
Journal of Chemical Theory and Computation.  18 (2022)  8 - p. 5068-5078 , 2022
Link: https://doi.org/10.1021/..
 
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13

Antibody-Antigen Binding Interface Analysis in the Big Data..:

Reis, Pedro B. P. S. ; Barletta, German P. ; Gagliardi, Luca...
Frontiers in Molecular Biosciences.  9 (2022)  - p. , 2022
Link: https://doi.org/10.3389/..
 
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14

Arbitrary-Shape Dielectric Particles Interacting in the Lin..:

Siryk, Sergii V. ; Rocchia, Walter
The Journal of Physical Chemistry B.  126 (2022)  49 - p. 10400-10426 , 2022
Link: https://doi.org/10.1021/..
 
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15

SHREC 2022: Protein–ligand binding site recognition:

Gagliardi, Luca ; Raffo, Andrea ; Fugacci, Ulderico...
Computers & Graphics.  107 (2022)  - p. 20-31 , 2022
Link: https://doi.org/10.1016/..
 
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