Publicaciones en colaboración con investigadores/as de University of Vienna (33)

2024

  1. Comparing machine learning potentials for water: Kernel-based regression and Behler-Parrinello neural networks

    Journal of Chemical Physics, Vol. 160, Núm. 11

2023

  1. Minimum in the pressure dependence of the interfacial free energy between ice Ih and water

    Journal of Chemical Physics, Vol. 158, Núm. 12

  2. The kinetics of the ice-water interface from ab initio machine learning simulations

    Journal of Chemical Physics, Vol. 158, Núm. 20

2022

  1. Solvothermal synthesis and characterization of ytterbium/iron mixed oxide nanoparticles with potential functionalities for applications as multiplatform contrast agent in medical image techniques

    Ceramics International, Vol. 48, Núm. 21, pp. 31191-31202

2021

  1. Guidelines for the use and interpretation of assays for monitoring autophagy (4th edition)1

    Autophagy, Vol. 17, Núm. 1, pp. 1-382

2020

  1. Membrane disruption, but not metabolic rewiring, is the key mechanism of anticancer-action of FASN-inhibitors: a multi-omics analysis in ovarian cancer

    Scientific Reports, Vol. 10, Núm. 1

  2. Unveiling the reaction mechanism of novel copper: N -alkylated tetra-azacyclophanes with outstanding superoxide dismutase activity

    Chemical Communications, Vol. 56, Núm. 54, pp. 7511-7514

2019

  1. Multinuclear NMR spectra and GIAO/DFT calculations of N-benzylazoles and N-benzylbenzazoles

    Structural Chemistry, Vol. 30, Núm. 5, pp. 1729-1735

2018

  1. Characterization of an atypical, thermostable, organic solvent- and acid-tolerant 2′-deoxyribosyltransferase from Chroococcidiopsis thermalis

    Applied Microbiology and Biotechnology, Vol. 102, Núm. 16, pp. 6947-6957

  2. Enzymatic Synthesis of Therapeutic Nucleosides using a Highly Versatile Purine Nucleoside 2’-DeoxyribosylTransferase from Trypanosoma brucei

    ChemCatChem, Vol. 10, Núm. 19, pp. 4406-4416

2017

  1. 2′-Deoxyribosyltransferase from Leishmania mexicana, an efficient biocatalyst for one-pot, one-step synthesis of nucleosides from poorly soluble purine bases

    Applied Microbiology and Biotechnology, Vol. 101, Núm. 19, pp. 7187-7200

2016

  1. Erratum to: Guidelines for the use and interpretation of assays for monitoring autophagy (3rd edition) (Autophagy, 12, 1, 1-222, 10.1080/15548627.2015.1100356

    Autophagy

  2. Guidelines for the use and interpretation of assays for monitoring autophagy (3rd edition)

    Autophagy, Vol. 12, Núm. 1, pp. 1-222

  3. Molecular mechanism for cavitation in water under tension

    Proceedings of the National Academy of Sciences of the United States of America, Vol. 113, Núm. 48, pp. 13582-13587

  4. New methods: General discussion

    Faraday Discussions

2015

  1. Unravelling the quenching mechanisms of a luminescent RuII probe for CuII

    Chemistry - An Asian Journal, Vol. 10, Núm. 3, pp. 622-629

2014

  1. Detecting vapour bubbles in simulations of metastable water

    Journal of Chemical Physics, Vol. 141, Núm. 18

  2. Ultrafast Laser-Induced Processes Described by Ab Initio Molecular Dynamics

    Springer Series in Chemical Physics, Vol. 107, pp. 145-170

2012

  1. Erratum: SHARC - Ab initio molecular dynamics with surface hopping in the adiabatic representation including arbitrary couplings (Journal of Chemical Theory and Computation (2011) 7 (1253-1258))

    Journal of Chemical Theory and Computation

  2. Femtosecond intersystem crossing in the DNA nucleobase cytosine

    Journal of Physical Chemistry Letters, Vol. 3, Núm. 21, pp. 3090-3095