MoBioTools: A toolkit to setup quantum mechanics/molecular mechanics calculations
Cárdenas, Gustavo, Lucia‐Tamudo, Jesús, Mateo‐delaFuente, Henar, Palmisano, Vito F., Anguita‐Ortiz, Nuria, Ruano, Lorena, Pérez‐Barcia, Álvaro, Díaz‐Tendero, Sergio, Mandado, Marcos, Nogueira, Juan J.
Published in Journal of computational chemistry (05.02.2023)
Published in Journal of computational chemistry (05.02.2023)
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Journal Article
Computation of Oxidation Potentials of Solvated Nucleobases by Static and Dynamic Multilayer Approaches
Lucia-Tamudo, Jesús, Cárdenas, Gustavo, Anguita-Ortiz, Nuria, Díaz-Tendero, Sergio, Nogueira, Juan J.
Published in Journal of chemical information and modeling (25.07.2022)
Published in Journal of chemical information and modeling (25.07.2022)
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Journal Article
Intramolecular and intermolecular hole delocalization rules the reducer character of isolated nucleobases and homogeneous single-stranded DNA
Lucia-Tamudo, Jesús, Díaz-Tendero, Sergio, Nogueira, Juan J
Published in Physical chemistry chemical physics : PCCP (24.05.2023)
Published in Physical chemistry chemical physics : PCCP (24.05.2023)
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Journal Article
One-Electron Oxidation Potentials and Hole Delocalization in Heterogeneous Single-Stranded DNA
Lucia-Tamudo, Jesús, Alcamí, Manuel, Díaz-Tendero, Sergio, Nogueira, Juan J
Published in Biochemistry (Easton) (21.11.2023)
Published in Biochemistry (Easton) (21.11.2023)
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Journal Article
An Efficient Multilayer Approach to Model DNA-Based Nanobiosensors
Lucia-Tamudo, Jesús, Nogueira, Juan J., Díaz-Tendero, Sergio
Published in The journal of physical chemistry. B (23.02.2023)
Published in The journal of physical chemistry. B (23.02.2023)
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Journal Article