Publicaciones
Publicaciones agradeciendo al NLHPC por el aporte con capacidad de cómputo a sus proyectos de investigación.
Unveiling SalL Chlorinase Reaction Mechanism and Selectivity through Quantum Mechanical/Molecular Mechanics and Activation‐Strain Model Artículo de revista
En: ChemPlusChem, 2025, ISSN: 2192-6506.
Integrative Computational Approaches for TRPV1 Ion Channel Inhibitor Discovery: An Integrated Machine Learning, Drug Repurposing and Molecular Simulation Approach Artículo de revista
En: Journal of Chemical Information and Modeling, 2025, ISSN: 1549-960X.
Classic Fuzzy Cognitive Maps Are Not Universal Approximators Artículo de revista
En: IEEE Transactions on Fuzzy Systems, pp. 1–9, 2025, ISSN: 1941-0034.
Magnesium sulfate in oxidative stress-associated pathologies: clinical, cellular, and molecular perspectives Artículo de revista
En: Biophysical Reviews, vol. 17, no 2, pp. 511–535, 2025, ISSN: 1867-2469.
Receptor-based pharmacophore modelling for the discovery of Sirtuin 1 modulators in Alzheimer’s disease Artículo de revista
En: Analytical Chemistry Letters, vol. 15, no 4, pp. 637–652, 2025, ISSN: 2230-7532.
En: Russian Journal of Bioorganic Chemistry, vol. 51, no 1, pp. 53–64, 2025, ISSN: 1608-330X.
Combining QSAR and Molecular Docking for the Methodological Design of Novel Radiotracers Targeting Parkinson’s Disease Artículo de revista
En: Applied Sciences, vol. 15, no 15, pp. 8134, 2025, ISSN: 2076-3417.
Revisiting aromaticity and stability in the diboron actinide compound Pa2B2 Artículo de revista
En: Chemical Science, 2025, ISSN: 2041-6539.
Branch‐and‐cut algorithms for the traveling salesman problem with job times Artículo de revista
En: International Transactions in Operational Research, 2025, ISSN: 1475-3995.
KFERQ-selective protein autophagy in Caenorhabditis elegans depends on LMP-1 Artículo de revista
En: PLOS One, vol. 20, no 9, pp. e0330339, 2025, ISSN: 1932-6203.
Cadmium mediated aggregation of spherical-planar and spherical-spherical aromatic lead-based clusters towards extended cluster materials Artículo de revista
En: Chemical Physics Letters, pp. 142394, 2025, ISSN: 0009-2614.
En: Inorganic Chemistry Communications, vol. 181, pp. 115331, 2025, ISSN: 1387-7003.
Inclusive hadroproduction of charmonia-bottomonia pairs in the CGC framework Artículo de revista
En: Physical Review D, vol. 112, no 5, 2025, ISSN: 2470-0029.
En: Physical Review D, vol. 112, no 1, 2025, ISSN: 2470-0029.
Unveiling the Mechanism and Origins of Selectivity in Phosphine-Catalyzed Higher-Order Cycloadditions of Allenes with Tropone Artículo de revista
En: The Journal of Organic Chemistry, 2025, ISSN: 1520-6904.
Molecular switches and real-time ion sensing in pyridinium circuits via a single-molecule STM-break junction Artículo de revista
En: Nanoscale Horizons, 2025, ISSN: 2055-6764.
Classical Molecular Dynamics and DFT Calculations for Interfacial Properties of the Water‐Decane Systems Using Different Types of Surfactants Artículo de revista
En: Surface and Interface Analysis, 2025, ISSN: 1096-9918.
A DFT-based investigation of chitin-to-chitosan transition: effects of N-acetylation on structure and reactivity Artículo de revista
En: Journal of Computer-Aided Molecular Design, vol. 39, no 1, 2025, ISSN: 1573-4951.
Protein‐mediated electroporation: Pore formation in a calcium voltage‐sensing domain induced by positive and negative <scp>nanosecond pulsed electric fields</scp> Artículo de revista
En: Protein Science, vol. 34, no 10, 2025, ISSN: 1469-896X.
Interpreting Ring Currents from Hückel-Guided σ- and π-Electron Delocalization in Small Boron Rings Artículo de revista
En: Molecules, vol. 30, no 17, pp. 3566, 2025, ISSN: 1420-3049.
Improvement of electronic structure calculations for the interpretation of the emission spectrum for NdIII complexes Artículo de revista
En: Physical Chemistry Chemical Physics, vol. 27, no 18, pp. 9847–9854, 2025, ISSN: 1463-9084.
Strain-induced half-metallicity and giant Wiedemann–Franz violation in monolayer NiI2 Artículo de revista
En: Physical Chemistry Chemical Physics, 2025, ISSN: 1463-9084.
Drug delivery system based on an antibacterial layer-by-layer coating on urinary catheters: an experimental and simulation approach Artículo de revista
En: Frontiers in Bioengineering and Biotechnology, vol. 13, 2025, ISSN: 2296-4185.
Coupling CFD and Machine Learning to Assess Flow Properties in Porous Scaffolds for Tissue Engineering Artículo de revista
En: Micromachines, vol. 16, no 10, pp. 1098, 2025, ISSN: 2072-666X.
Technical note: What does the Standardized Streamflow Index actually reflect? Insights and implications for hydrological drought analysis Artículo de revista
En: Hydrology and Earth System Sciences, vol. 29, no 8, pp. 1981–2002, 2025, ISSN: 1607-7938.
Cosmology with persistent homology: parameter inference via machine learning Artículo de revista
En: Journal of Cosmology and Astroparticle Physics, vol. 2025, no 09, pp. 064, 2025, ISSN: 1475-7516.
Finite temperatures and flat bands: The Hubbard model on three-dimensional Lieb lattices Artículo de revista
En: Physical Review B, vol. 112, no 12, 2025, ISSN: 2469-9969.
An effective multi-objective metaheuristic for the support vector machine with feature selection Artículo de revista
En: Knowledge-Based Systems, vol. 328, pp. 114203, 2025, ISSN: 0950-7051.
Understanding of the optical/photocatalytic properties of bismuth oxyiodide with reduced graphene oxide Artículo de revista
En: Results in Chemistry, vol. 18, pp. 102706, 2025, ISSN: 2211-7156.
Nonlocal in-medium effective interaction for nucleon scattering off isospin-asymmetric targets Artículo de revista
En: Physical Review C, vol. 112, no 3, 2025, ISSN: 2469-9993.
Strain rate effects on the atomic structure and plastic deformation of a CuZr metallic glass Artículo de revista
En: Physica Scripta, vol. 100, no 9, pp. 095944, 2025, ISSN: 1402-4896.
Characterization of vaginal prokaryotes and eukaryotes microbiota and its link to sexually transmitted infections Artículo de revista
En: Scientific Reports, vol. 15, no 1, 2025, ISSN: 2045-2322.
Biocompatible Water-Soluble Hydroxypropyl-β-Cyclodextrin/Cannabidiol Powder Formulated via Spray Drying Artículo de revista
En: ACS Applied Engineering Materials, 2025, ISSN: 2771-9545.
A neural network-based iterative heuristic algorithm for the polynomial robust knapsack problem Artículo de revista
En: Knowledge-Based Systems, vol. 330, pp. 114439, 2025, ISSN: 0950-7051.
High-Temperature Compensated Ferrimagnetism in the Molecular Framework Cr(pyrazine)3 Artículo de revista
En: 2025.
QTAIM Based Computational Assessment of Cleavage Prone Bonds in Highly Hazardous Pesticides Artículo de revista
En: Toxics, vol. 13, no 10, pp. 839, 2025, ISSN: 2305-6304.
Enhanced NLCs: Elevating therapeutic and diagnostic performance through covalent dye integration Artículo de revista
En: Journal of Drug Delivery Science and Technology, vol. 114, pp. 107612, 2025, ISSN: 1773-2247.
Assessing the impact of misinformation during the spread of infectious diseases Artículo de revista
En: Scientific Reports, vol. 15, no 1, 2025, ISSN: 2045-2322.
Patagonian Ice Sheet shaped regional climate during the Last Glacial Maximum Artículo de revista
En: Communications Earth & Environment, vol. 6, no 1, 2025, ISSN: 2662-4435.
A Promising Anti-dengue Virus Carboxylated-Sesquiterpene Lactone from Stevia entreriensis (Asteraceae) Artículo de revista
En: ACS Omega, 2025, ISSN: 2470-1343.
In Silico Exploration of the Endocrine-Disrupting Potential of Phthalate Esters through Structural Interaction with the Human Androgen Receptor Artículo de revista
En: ACS Omega, 2025, ISSN: 2470-1343.
Novel hollow boron-nitride nanostructures Artículo de revista
En: Diamond and Related Materials, vol. 159, pp. 112837, 2025, ISSN: 0925-9635.
Manganese-Catalyzed Oxazoline-Directed C–H Addition of Arenes to Unsaturated Polar Bond: Experimental and Computational Study Artículo de revista
En: The Journal of Organic Chemistry, 2025, ISSN: 1520-6904.
First year of magnetotelluric observations at Villarrica volcano, Southern Andes Artículo de revista
En: Journal of Volcanology and Geothermal Research, vol. 468, pp. 108474, 2025, ISSN: 0377-0273.
Genetic and in silico functional characterization of a novel structural variant in the PAH gene by long-reads sequencing and structural modeling Artículo de revista
En: Frontiers in Genetics, vol. 16, 2025, ISSN: 1664-8021.
En: FlatChem, vol. 54, pp. 100938, 2025, ISSN: 2452-2627.
Gaining insights into Alzheimer’s Disease by predicting chromatin spatial organization Artículo de revista
En: Bioinformatics Advances, 2025, ISSN: 2635-0041.
Excited State Aromaticity Unveiled by Electron Localization Function Topology Artículo de revista
En: ChemPhysChem, 2025, ISSN: 1439-7641.
Synergizing Virtual Screening and Zebrafish Models to Identify Resveratrol-Derived Antiaging Polyphenols Artículo de revista
En: Pharmaceuticals, vol. 18, no 11, pp. 1630, 2025, ISSN: 1424-8247.
Health and Economic Benefits of Ozone Reduction: Case Study in Santiago and Valparaíso Artículo de revista
En: Earth, vol. 6, no 4, pp. 134, 2025, ISSN: 2673-4834.
Sensitivity of precipitable water vapor forecasts in the Chajnantor region to changes in model parameters Artículo de revista
En: Monthly Notices of the Royal Astronomical Society, 2025, ISSN: 1365-2966.
Nature of host–guest interaction of cyclic alcohols in β-Cyclodextrin: A molecular view of its structural features Artículo de revista
En: Chemical Physics, vol. 588, pp. 112483, 2025, ISSN: 0301-0104.
Interplay of Redox Non-Innocence and Symmetry Breaking in a 4d Coordination Framework Artículo de revista
En: 2025.
Orientation-dependent solvatochromism in ferrocenyl pyrimidinium conjugates: Comparative analysis and theoretical insights Artículo de revista
En: Dyes and Pigments, vol. 233, pp. 112489, 2025, ISSN: 0143-7208.
Surgery scheduling problem considering the affinity and preferences in the surgical team Artículo de revista
En: Health Care Management Science, 2025, ISSN: 1572-9389.
HERPUD1 mediates palmitic acid-induced UPR sustaining TNBC aggressiveness and is destabilized by CK2 pharmacological inhibition Artículo de revista
En: Cell Death & Disease, vol. 16, no 1, 2025, ISSN: 2041-4889.
Structural and electronic features of [PhTeI(S 2 CNEt 2 )][PhTeI 4 ] with a rare cationic organotellurium species Artículo de revista
En: Phosphorus, Sulfur, and Silicon and the Related Elements, pp. 1–8, 2025, ISSN: 1563-5325.
En: Geophysical Journal International, vol. 243, no 3, 2025, ISSN: 1365-246X.
Simplified coupled atmosphere-fire model for simulation of 2D wildland fires Artículo de revista
En: Computer Physics Communications, vol. 315, pp. 109746, 2025, ISSN: 0010-4655.
Slip-Link Theory Predicts Entangled, Star-Branched Relaxation Measurably Different from Tube Model Predictions Artículo de revista
En: Macromolecules, 2025, ISSN: 1520-5835.
Equipo
Equipo humano del NLHPC
Socios
Instituciones asociadas al NLHPC