DI FELICE, ROSA
DI FELICE, ROSA
Istituto Nanoscienze - NANO
Unraveling the mechanism of tip-enhanced molecular energy transfer
2024 Coane, Colin V.; Romanelli, Marco; Dall'Osto, Giulia; Di Felice, Rosa; Corni, Stefano
A Perspective on Sustainable Computational Chemistry Software Development and Integration
2023 DI FELICE, Rosa; Mayes Maricris, L; Richard Ryan, M; WilliamsYoung David, B; Chan Garnet, Kinlic; de Jong Wibe, A; Govind, Niranjan; Headgordon, Martin; Hermes Matthew, R; Kowalski, Karol; Li, Xiaosong; Lischka HansMueller Karl, T; Mutlu, Erdal; Niklasson Anders, M N; Pederson Mark, R; Peng, Bo; Shepard, Ron; Valeev Edward, F; van Schilfgaarde, Mark; Vlaisavljevich, Bess; Windus Theresa, L; Xantheas Sotiris Sj, M; Zhang, Xing; Zimmerman Paul, M
The impact of G-quadruplex dynamics on inter-tetrad electronic couplings: a hybrid computational study
2022 Nandi, Samprita; Coane, Colin; Villegas, Angel-Emilio; Ray, Angana; Di Felice, Rosa
Achieving a quantum smart workforce
2021 Aiello, Clarice D; Awschalom, D D; Bernien, Hannes; Brower, Tina; Brown, Kenneth R; Brun, Todd A; Caram, Justin R; Chitambar, Eric; Di Felice, Rosa; Edmonds, Karina Montilla; Fox, Michael F J; Haas, Stephan; Holleitner, Alexander W; Hudson, Eric R; Hunt, Jeffrey H; Joynt, Robert; Koziol, Scott; Larsen, M; Lewandowski, H J; Mcclure, Doug T; Palsberg, Jens; Passante, Gina; Pudenz, Kristen L; Richardson, Christopher J K; Rosenberg, Jessica L; Ross, R S; Saffman, Mark; Singh, M; Steuerman, David W; Stark, Chad; Thijssen, Jos; Vamivakas, A Nick; Whitfield, James D; Zwickl, Benjamin M
Effects of Structural Dynamics on Charge Carrier Transfer in B-DNA: A Combined MD and RT-TDDFT Study
2021 Mantela, M; Morphis, A; Lambropoulos, K; Simserides, C; Di Felice, R
Investigating the Chinese postman problem on a quantum annealer
2021 Siloi, Ilaria; Carnevali, Virginia; Pokharel, Bibek; Fornari, Marco; Di Felice, Rosa
Lcao electronic structure of nucleic acid bases and other heterocycles and transfer integrals in b-dna, including structural variability
2021 Mantela, M; Simserides, C; Di Felice, R
Landscape of DNA binding signatures of myocyte enhancer factor-2B reveals a unique interplay of base and shape readout
2020 Carolina Dantas Machado, Ana; H Cooper, Brendon; Lei, Xiao; DI FELICE, Rosa; Chen, Lin; Rohs, Remo
Protein-Mutation-Induced Conformational Changes of the DNA and Nuclease Domain in CRISPR/Cas9 Systems by Molecular Dynamics Simulations
2020 Ray, A; Di Felice, R
The RNA Polymerase α Subunit Recognizes the DNA Shape of the Upstream Promoter Element
2020 Laragonzalez, S; Dantas MacHado, Ac; Rao, S; Napoli, Aa; Birktoft, J; Di Felice, R; Rohs, R; Lawson, Cl
Vacancies in graphene: an application of adiabatic quantum optimization
2020 Carnevali, Virginia; Siloi, Ilaria; Di Felice, Rosa; Fornari, Marco
Charge Transfer between [4Fe4S] Proteins and DNA Is Unidirectional: Implications for Biomolecular Signaling
2019 Teo, Rd; Rousseau, Bjg; Smithwick, Er; Di Felice, R; Beratan, Dn; Migliore, A
Molecular Simulations have Boosted Knowledge of CRISPR/Cas9: A Review
2019 Ray, Angana; Felice, Rosa Di
The interaction of peptides and proteins with nanostructures surfaces: a challenge for nanoscience
2019 Brancolini, G; Bellucci, L; Maschio, Mc; Di Felice, R; Corni, S
Adsorption Mechanisms of Nucleobases on the Hydrated Au(111) Surface
2018 Rosa, Marta; Di Felice, Rosa; Corni, Stefano
Quantum annealing versus classical machine learning applied to a simplified computational biology problem
2018 Li, Ry; Di Felice, R; Rohs, R; Lidar, Da
CRISPR-Cas9 Mediated DNA Unwinding Detected Using Site-Directed Spin Labeling
2017 Tangprasertchai N.S.; Di Felice R.; Zhang X.; Slaymaker I.M.; Vazquez Reyes C.; Jiang W.; Rohs R.; Qin P.Z.
Fibrillation-prone conformations of the amyloid-?-42 peptide at the gold/water interface
2017 Bellucci L.; Bussi G.; Di Felice R.; Corni S.
Conformations of Human Telomeric G-Quadruplex Studied Using a Nucleotide-Independent Nitroxide Label
2016 J Zhang, X; X Xu, C; DI FELICE, Rosa; Sponer, J; Islam, B; Stadlbauer, P; Ding, Y; L Mao, L; Z Qin, P
Effects of G-quadruplex topology on electronic transfer integrals
2016 Sun, W; Varsano, D; Di Felice, R
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| Unraveling the mechanism of tip-enhanced molecular energy transfer | 1-gen-2024 | Coane, Colin V.; Romanelli, Marco; Dall'Osto, Giulia; Di Felice, Rosa; Corni, Stefano | |
| A Perspective on Sustainable Computational Chemistry Software Development and Integration | 1-gen-2023 | DI FELICE, Rosa; Mayes Maricris, L; Richard Ryan, M; WilliamsYoung David, B; Chan Garnet, Kinlic; de Jong Wibe, A; Govind, Niranjan; Headgordon, Martin; Hermes Matthew, R; Kowalski, Karol; Li, Xiaosong; Lischka HansMueller Karl, T; Mutlu, Erdal; Niklasson Anders, M N; Pederson Mark, R; Peng, Bo; Shepard, Ron; Valeev Edward, F; van Schilfgaarde, Mark; Vlaisavljevich, Bess; Windus Theresa, L; Xantheas Sotiris Sj, M; Zhang, Xing; Zimmerman Paul, M | |
| The impact of G-quadruplex dynamics on inter-tetrad electronic couplings: a hybrid computational study | 1-gen-2022 | Nandi, Samprita; Coane, Colin; Villegas, Angel-Emilio; Ray, Angana; Di Felice, Rosa | |
| Achieving a quantum smart workforce | 1-gen-2021 | Aiello, Clarice D; Awschalom, D D; Bernien, Hannes; Brower, Tina; Brown, Kenneth R; Brun, Todd A; Caram, Justin R; Chitambar, Eric; Di Felice, Rosa; Edmonds, Karina Montilla; Fox, Michael F J; Haas, Stephan; Holleitner, Alexander W; Hudson, Eric R; Hunt, Jeffrey H; Joynt, Robert; Koziol, Scott; Larsen, M; Lewandowski, H J; Mcclure, Doug T; Palsberg, Jens; Passante, Gina; Pudenz, Kristen L; Richardson, Christopher J K; Rosenberg, Jessica L; Ross, R S; Saffman, Mark; Singh, M; Steuerman, David W; Stark, Chad; Thijssen, Jos; Vamivakas, A Nick; Whitfield, James D; Zwickl, Benjamin M | |
| Effects of Structural Dynamics on Charge Carrier Transfer in B-DNA: A Combined MD and RT-TDDFT Study | 1-gen-2021 | Mantela, M; Morphis, A; Lambropoulos, K; Simserides, C; Di Felice, R | |
| Investigating the Chinese postman problem on a quantum annealer | 1-gen-2021 | Siloi, Ilaria; Carnevali, Virginia; Pokharel, Bibek; Fornari, Marco; Di Felice, Rosa | |
| Lcao electronic structure of nucleic acid bases and other heterocycles and transfer integrals in b-dna, including structural variability | 1-gen-2021 | Mantela, M; Simserides, C; Di Felice, R | |
| Landscape of DNA binding signatures of myocyte enhancer factor-2B reveals a unique interplay of base and shape readout | 1-gen-2020 | Carolina Dantas Machado, Ana; H Cooper, Brendon; Lei, Xiao; DI FELICE, Rosa; Chen, Lin; Rohs, Remo | |
| Protein-Mutation-Induced Conformational Changes of the DNA and Nuclease Domain in CRISPR/Cas9 Systems by Molecular Dynamics Simulations | 1-gen-2020 | Ray, A; Di Felice, R | |
| The RNA Polymerase α Subunit Recognizes the DNA Shape of the Upstream Promoter Element | 1-gen-2020 | Laragonzalez, S; Dantas MacHado, Ac; Rao, S; Napoli, Aa; Birktoft, J; Di Felice, R; Rohs, R; Lawson, Cl | |
| Vacancies in graphene: an application of adiabatic quantum optimization | 1-gen-2020 | Carnevali, Virginia; Siloi, Ilaria; Di Felice, Rosa; Fornari, Marco | |
| Charge Transfer between [4Fe4S] Proteins and DNA Is Unidirectional: Implications for Biomolecular Signaling | 1-gen-2019 | Teo, Rd; Rousseau, Bjg; Smithwick, Er; Di Felice, R; Beratan, Dn; Migliore, A | |
| Molecular Simulations have Boosted Knowledge of CRISPR/Cas9: A Review | 1-gen-2019 | Ray, Angana; Felice, Rosa Di | |
| The interaction of peptides and proteins with nanostructures surfaces: a challenge for nanoscience | 1-gen-2019 | Brancolini, G; Bellucci, L; Maschio, Mc; Di Felice, R; Corni, S | |
| Adsorption Mechanisms of Nucleobases on the Hydrated Au(111) Surface | 1-gen-2018 | Rosa, Marta; Di Felice, Rosa; Corni, Stefano | |
| Quantum annealing versus classical machine learning applied to a simplified computational biology problem | 1-gen-2018 | Li, Ry; Di Felice, R; Rohs, R; Lidar, Da | |
| CRISPR-Cas9 Mediated DNA Unwinding Detected Using Site-Directed Spin Labeling | 1-gen-2017 | Tangprasertchai N.S.; Di Felice R.; Zhang X.; Slaymaker I.M.; Vazquez Reyes C.; Jiang W.; Rohs R.; Qin P.Z. | |
| Fibrillation-prone conformations of the amyloid-?-42 peptide at the gold/water interface | 1-gen-2017 | Bellucci L.; Bussi G.; Di Felice R.; Corni S. | |
| Conformations of Human Telomeric G-Quadruplex Studied Using a Nucleotide-Independent Nitroxide Label | 1-gen-2016 | J Zhang, X; X Xu, C; DI FELICE, Rosa; Sponer, J; Islam, B; Stadlbauer, P; Ding, Y; L Mao, L; Z Qin, P | |
| Effects of G-quadruplex topology on electronic transfer integrals | 1-gen-2016 | Sun, W; Varsano, D; Di Felice, R |