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Role of Hydration and Amino Acid Interactions on the Ion Permeation Mechanism in the hNaV1.5 Channel.
Biochemistry. 2025 Jan 7;64(1):47-56. doi: 10.1021/acs.biochem.4c00664. Epub 2024 Dec 17.
Biochemistry. 2025.
PMID: 39688400
Free PMC article.
Voltage-Gated Ion Channels: Structure, Pharmacology and Photopharmacology.
Palmisano VF, Anguita-Ortiz N, Faraji S, Nogueira JJ.
Palmisano VF, et al. Among authors: anguita ortiz n.
Chemphyschem. 2024 Aug 19;25(16):e202400162. doi: 10.1002/cphc.202400162. Epub 2024 Jul 17.
Chemphyschem. 2024.
PMID: 38649320
Review.
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MoBioTools: A toolkit to setup quantum mechanics/molecular mechanics calculations.
Cárdenas G, Lucia-Tamudo J, Mateo-delaFuente H, Palmisano VF, Anguita-Ortiz N, Ruano L, Pérez-Barcia Á, Díaz-Tendero S, Mandado M, Nogueira JJ.
Cárdenas G, et al. Among authors: anguita ortiz n.
J Comput Chem. 2023 Feb 5;44(4):516-533. doi: 10.1002/jcc.27018. Epub 2022 Dec 12.
J Comput Chem. 2023.
PMID: 36507763
Free PMC article.
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Computation of Oxidation Potentials of Solvated Nucleobases by Static and Dynamic Multilayer Approaches.
Lucia-Tamudo J, Cárdenas G, Anguita-Ortiz N, Díaz-Tendero S, Nogueira JJ.
Lucia-Tamudo J, et al. Among authors: anguita ortiz n.
J Chem Inf Model. 2022 Jul 25;62(14):3365-3380. doi: 10.1021/acs.jcim.2c00234. Epub 2022 Jun 30.
J Chem Inf Model. 2022.
PMID: 35771991
Free PMC article.
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