Biblio
] Emergence of chromatin hierarchical loops from protein disorder and nucleosome asymmetry,
, Proceedings of the National Academy of Sciences, 03/2020, Volume 117, Issue 13, p.7216, (2020)
Exploring The Conformational Landscape Of Bioactive Small Molecules,
, Journal of Chemical Theory and Computation, 08/2020, (2020)
Molywood: streamlining the design and rendering of molecular movies,
, Bioinformatics, 06/2020, (2020)
The Impact of the HydroxyMethylCytosine epigenetic signature on DNA structure and function,
, PLOS Computational Biology, 11/2021, Volume 17, Issue 11, p.e1009547 - , (2021)
Probing allosteric regulations with coevolution-driven molecular simulations,
, Science advances, 10/2021, Volume 7, Issue 37, p.eabj0786 - eabj0786, (2021)
Sequence-dependent structural properties of B-DNA: what have we learned in 40 years?,
, Biophysical Reviews, 11/2021, (2021)
Sequence-dependent structural properties of B-DNA: what have we learned in 40 years?,
, Biophysical Reviews, 11/2021, (2021)
Sequence-dependent structural properties of B-DNA: what have we learned in 40 years?,
, Biophysical Reviews, 11/2021, (2021)
Sequence-dependent structural properties of B-DNA: what have we learned in 40 years?,
, Biophysical Reviews, 11/2021, (2021)
The BioExcel methodology for developing dynamic, scalable, reliable and portable computational biomolecular workflows,
, 2022 IEEE 18th International Conference on e-Science (e-Science), 12/2022, (2022)
Deciphering the mechanical code of the genome and epigenome,
, Nat Struct Mol Biol, 12/2022, Volume 29, Issue 12, p.1178 - 1187, (2022)
High-Throughput Prediction of the Impact of Genetic Variability on Drug Sensitivity and Resistance Patterns for Clinically Relevant Epidermal Growth Factor Receptor Mutations from Atomistic Simulations,
, Journal of Chemical Information and Modeling, 12/2022, Volume In press, (2022)
MiOS, an integrated imaging and computational strategy to model gene folding with nucleosome resolution,
, Nat Struct Mol Biol , 10/2022, Volume in press, (2022)
Proton Transfers to DNA in Native Electrospray Ionization Mass Spectrometry: A Quantum Mechanics/Molecular Mechanics Study,
, The Journal of Physical Chemistry Letters, 12/2022, Volume 13, Issue 51, p.12004 - 12010, (2022)
The structural role of SARS-CoV-2 genetic background in the emergence and success of spike mutations: The case of the spike A222V mutation,
, PLOS Pathogens, 07/2022, Volume 18, Issue 7, p.e1010631 - , (2022)
The structural role of SARS-CoV-2 genetic background in the emergence and success of spike mutations: The case of the spike A222V mutation,
, PLOS Pathogens, 07/2022, Volume 18, Issue 7, p.e1010631 - , (2022)
The structural role of SARS-CoV-2 genetic background in the emergence and success of spike mutations: The case of the spike A222V mutation,
, PLOS Pathogens, 07/2022, Volume 18, Issue 7, p.e1010631 - , (2022)
Characterization of p38α autophosphorylation inhibitors that target the non-canonical activation pathway,
, Nature Communications, 06/2023, Volume 14, Issue 1, p.3318, (2023)
Controlled sulfur-based engineering confers mouldability to phosphorothioate antisense oligonucleotides,
, Nucleic Acids Research, 06/2023, Volume 51, Issue 10, p.4713 - 4725, (2023)
Omicron mutations increase interdomain interactions and reduce epitope exposure in the SARS-CoV-2 spike,
, iScience, 02/2023, Volume 26, Issue 2, p.105981, (2023)
pH-Dependent Capping Interactions Induce Large-Scale Structural Transitions in i-Motifs,
, Journal of the American Chemical Society, 02/2023, Volume 145, Issue 6, p.3696 - 3705, (2023)
pH-Dependent Capping Interactions Induce Large-Scale Structural Transitions in i-Motifs,
, Journal of the American Chemical Society, 02/2023, Volume 145, Issue 6, p.3696 - 3705, (2023)
Splice variants of mitofusin 2 shape the endoplasmic reticulum and tether it to mitochondria,
, Science, 07/2023, Volume 380, Issue 6651, p.eadh9351, (2023)