Biblio
Characterization of p38α autophosphorylation inhibitors that target the non-canonical activation pathway,
, Nature Communications, 06/2023, Volume 14, Issue 1, p.3318, (2023)
Characterization of p38α autophosphorylation inhibitors that target the non-canonical activation pathway,
, Nature Communications, 06/2023, Volume 14, Issue 1, p.3318, (2023)
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)
Correlated motions in DNA: beyond base-pair step models of DNA flexibility,
, Nucleic Acids Research, 06/2023, Volume 51, Issue 6, p.2633 - 2640, (2023)
Molecular dynamics modelling of the interaction of a synthetic zinc-finger miniprotein with DNA,
, RSC Chemical Biology, 05/2023, p. - , (2023)
Sequence-Dependent Properties of the RNA Duplex,
, Journal of Chemical Information and Modeling, 08/2023, Volume 63, Issue 16, p.5259 - 5271, (2023)
Structural analysis of the Candida albicans mitochondrial DNA maintenance factor Gcf1p reveals a dynamic DNA-bridging mechanism,
, Nucleic Acids Research, 05/2023, p.gkad397, (2023)
Structural analysis of the Candida albicans mitochondrial DNA maintenance factor Gcf1p reveals a dynamic DNA-bridging mechanism,
, Nucleic Acids Research, 05/2023, p.gkad397, (2023)
BioExcel Building Blocks REST API (BioBB REST API), programmatic access to interoperable biomolecular simulation tools,
, Bioinformatics, 05/2022, Volume 38, Issue 12, p.3303, (2022)
BioExcel Building Blocks Workflows (BioBB-Wfs), an integrated web-based platform for biomolecular simulations,
, Nucleic Acids Res, 05/2022, Volume 50, Issue W1, p.W107, (2022)
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)
Deciphering the mechanical code of the genome and epigenome,
, Nat Struct Mol Biol, 12/2022, Volume 29, Issue 12, p.1178 - 1187, (2022)
DNA double-strand break-derived RNA drives TIRR/53BP1 complex dissociation,
, Cell Reports, 10/2022, Volume 41, Issue 4, (2022)
DNA double-strand break-derived RNA drives TIRR/53BP1 complex dissociation,
, Cell Reports, 10/2022, Volume 41, Issue 4, (2022)
DNAffinity: a machine-learning approach to predict DNA binding affinities of transcription factors,
, Nucleic Acids Res, 09/2022, Volume 50, Issue 16, (2022)
DNAffinity: a machine-learning approach to predict DNA binding affinities of transcription factors,
, Nucleic Acids Res, 09/2022, Volume 50, Issue 16, (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)
Making Canonical Workflow Building Blocks Interoperable across Workflow Languages,
, Data Intelligence, 2022, p.1 - 16, (2022)
Mechanism of reaction of RNA-dependent RNA polymerase from SARS-CoV-2,
, Chem Catalysis, 05/2022, Volume 2, Issue 5, p.1099, (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)
MiOS, an integrated imaging and computational strategy to model gene folding with nucleosome resolution,
, Nat Struct Mol Biol , 10/2022, Volume in press, (2022)
Molecular basis of Arginine and Lysine DNA sequence-dependent thermo-stability modulation,
, PLoS computational biology, 01/2022, Volume 18, Issue 1, p.e1009749 - e1009749, (2022)
Molecular basis of Arginine and Lysine DNA sequence-dependent thermo-stability modulation,
, PLoS computational biology, 01/2022, Volume 18, Issue 1, p.e1009749 - e1009749, (2022)
Pre-exascale HPC approaches for molecular dynamics simulations. Covid-19 research: A use case,
, WIREs Computational Molecular Science, 05/2022, Volume In Press, p.e1622, (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)
3dRS, a Web-Based Tool to Share Interactive Representations of 3D Biomolecular Structures and Molecular Dynamics Trajectories,
, Frontiers in Molecular Biosciences, 08/2021, Volume 8, p.795, (2021)
Impact of DNA methylation on 3D genome structure,
, Nature Communications, 05/2021, Volume 12, Issue 1, p.3243, (2021)
Impact of DNA methylation on 3D genome structure,
, Nature Communications, 05/2021, Volume 12, Issue 1, p.3243, (2021)
Impact of DNA methylation on 3D genome structure,
, Nature Communications, 05/2021, Volume 12, Issue 1, p.3243, (2021)
The Impact of the HydroxyMethylCytosine epigenetic signature on DNA structure and function,
, PLOS Computational Biology, 11/2021, Volume 17, Issue 11, p.e1009547 - , (2021)
The Impact of the HydroxyMethylCytosine epigenetic signature on DNA structure and function,
, PLOS Computational Biology, 11/2021, Volume 17, Issue 11, p.e1009547 - , (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)
4D Genome Rewiring during Oncogene-Induced and Replicative Senescence,
, Molecular Cell, 07/2020, Volume 78, Issue 3, p.522 - 538.e9, (2020)
4D Genome Rewiring during Oncogene-Induced and Replicative Senescence,
, Molecular Cell, 07/2020, Volume 78, Issue 3, p.522 - 538.e9, (2020)
4D Genome Rewiring during Oncogene-Induced and Replicative Senescence,
, Molecular Cell, 07/2020, Volume 78, Issue 3, p.522 - 538.e9, (2020)
4D Genome Rewiring during Oncogene-Induced and Replicative Senescence,
, Molecular Cell, 07/2020, Volume 78, Issue 3, p.522 - 538.e9, (2020)
Bioactive Conformational Ensemble Server And Database. A Public Framework To Speed Up In Silico Drug Discovery,
, Journal of Chemical Theory and Computation, 08/2020, (2020)
Colibactin DNA-damage signature indicates mutational impact in colorectal cancer,
, Nature Medicine, 07/2020, Volume 26, Issue 7, p.1063 - 1069, (2020)
Colibactin DNA-damage signature indicates mutational impact in colorectal cancer,
, Nature Medicine, 07/2020, Volume 26, Issue 7, p.1063 - 1069, (2020)
Colibactin DNA-damage signature indicates mutational impact in colorectal cancer,
, Nature Medicine, 07/2020, Volume 26, Issue 7, p.1063 - 1069, (2020)
A community proposal to integrate structural bioinformatics activities in ELIXIR (3D-Bioinfo Community),
, F1000Research, 04/2020, Volume 9, (2020)
Molywood: streamlining the design and rendering of molecular movies,
, Bioinformatics, 06/2020, (2020)
A multi-modal coarse grained model of DNA flexibility mappable to the atomistic level,
, Nucleic Acids Research, 01/2020, (2020)
A multi-modal coarse grained model of DNA flexibility mappable to the atomistic level,
, Nucleic Acids Research, 01/2020, (2020)
BioExcel Building Blocks, a software library for interoperable biomolecular simulation workflows,
, Nature Scientific Data, 09/2019, Volume 6, Issue 1, p.169, (2019)
Deficient Endoplasmic Reticulum-Mitochondrial Phosphatidylserine Transfer Causes Liver Disease,
, Cell, 05/2019, Volume 177, Issue 4, p.881 - 895.e17, (2019)