Biblio
] CGeNArateWeb: a web server for the atomistic study of the structure and dynamics of chromatin fibers,
, Nucleic Acids Research, 05/2025, Volume 53, Issue W1, p.W151 - W157, (2025)
The conserved lysine residue in transmembrane helix 5 is pivotal for the cytoplasmic gating of the L-amino acid transporters,
, PNAS Nexus, 01/2025, Volume 4, Issue 1, p.pgae584, (2025)
The need to implement FAIR principles in biomolecular simulations,
, Nature Methods, 04/2025, Volume 22, Issue 4, p.641 - 645, (2025)
The need to implement FAIR principles in biomolecular simulations,
, Nature Methods, 04/2025, Volume 22, Issue 4, p.641 - 645, (2025)
The need to implement FAIR principles in biomolecular simulations,
, Nature Methods, 04/2025, Volume 22, Issue 4, p.641 - 645, (2025)
The need to implement FAIR principles in biomolecular simulations,
, Nature Methods, 04/2025, Volume 22, Issue 4, p.641 - 645, (2025)
The need to implement FAIR principles in biomolecular simulations,
, Nature Methods, 04/2025, Volume 22, Issue 4, p.641 - 645, (2025)
The need to implement FAIR principles in biomolecular simulations,
, Nature Methods, 04/2025, Volume 22, Issue 4, p.641 - 645, (2025)
The need to implement FAIR principles in biomolecular simulations,
, Nature Methods, 04/2025, Volume 22, Issue 4, p.641 - 645, (2025)
The need to implement FAIR principles in biomolecular simulations,
, Nature Methods, 04/2025, Volume 22, Issue 4, p.641 - 645, (2025)
The need to implement FAIR principles in biomolecular simulations,
, Nature Methods, 04/2025, Volume 22, Issue 4, p.641 - 645, (2025)
The need to implement FAIR principles in biomolecular simulations,
, Nature Methods, 04/2025, Volume 22, Issue 4, p.641 - 645, (2025)
Systematic study of hybrid triplex topology and stability suggests a general triplex-mediated regulatory mechanism,
, Nucleic Acids Research, 03/2025, Volume 53, Issue 5, p.gkaf170, (2025)
CGeNArate: a sequence-dependent coarse-grained model of DNA for accurate atomistic MD simulations of kb-long duplexes,
, Nucleic Acids Research, 05/2024, Volume 52, Issue 12, p.6791 - 6801, (2024)
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange,
, Digital Discovery, 04/2024, Volume 3, Issue 8, p.1509 - 1533, (2024)
An integrated machine-learning model to predict nucleosome architecture,
, Nucleic Acids Research, 09/2024, Volume 52, Issue 17, p.10132 - 10143, (2024)
SETD8 inhibition targets cancer cells with increased rates of ribosome biogenesis,
, Cell Death & Disease, 09/2024, Volume 15, Issue 9, p.694, (2024)
SETD8 inhibition targets cancer cells with increased rates of ribosome biogenesis,
, Cell Death & Disease, 09/2024, Volume 15, Issue 9, p.694, (2024)
SETD8 inhibition targets cancer cells with increased rates of ribosome biogenesis,
, Cell Death & Disease, 09/2024, Volume 15, Issue 9, p.694, (2024)
Special issue: Multiscale simulations of DNA from electrons to nucleosomes,
, Biophysical Reviews, 06/2024, Volume 16, Issue 3, p.259 - 262, (2024)
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)
Histone H3 serine-57 is a CHK1 substrate whose phosphorylation affects DNA repair,
, Nature Communications, 08/2023, Volume 14, Issue 1, p.5104, (2023)
Molecular dynamics modelling of the interaction of a synthetic zinc-finger miniprotein with DNA,
, RSC Chemical Biology, 05/2023, p. - , (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)
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)
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)
Making Canonical Workflow Building Blocks Interoperable across Workflow Languages,
, Data Intelligence, 2022, p.1 - 16, (2022)
Making Canonical Workflow Building Blocks Interoperable across Workflow Languages,
, Data Intelligence, 2022, p.1 - 16, (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)
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)
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)
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)
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)
AutoDock Bias: improving binding mode prediction and virtual screening using known protein–ligand interactions,
, Bioinformatics, 2019, Volume 35, Issue 19, p.3836 - 3838, (2019)
BioExcel Building Blocks, a software library for interoperable biomolecular simulation workflows,
, Nature Scientific Data, 09/2019, Volume 6, Issue 1, p.169, (2019)
DNA specificities modulate the binding of human transcription factor A to mitochondrial DNA control region,
, Nucleic acids research, 09/2019, Volume 47, Issue 12, p.6519 - 6537, (2019)
Epigenetic loss of RNA-methyltransferase NSUN5 in glioma targets ribosomes to drive a stress adaptive translational program,
, Acta neuropathologica, 12/2019, Volume 138, Issue 6, p.1053 - 1074, (2019)
Epigenetic loss of RNA-methyltransferase NSUN5 in glioma targets ribosomes to drive a stress adaptive translational program,
, Acta neuropathologica, 12/2019, Volume 138, Issue 6, p.1053 - 1074, (2019)
Oncogenic mutations at the EGFR ectodomain structurally converge to remove a steric hindrance on a kinase-coupled cryptic epitope,
, Proceedings of the National Academy of Sciences, 04/2019, (2019)
Oncogenic mutations at the EGFR ectodomain structurally converge to remove a steric hindrance on a kinase-coupled cryptic epitope,
, Proceedings of the National Academy of Sciences, 04/2019, (2019)
Side chain to main chain hydrogen bonds stabilize a polyglutamine helix in a transcription factor,
, Nature Communication, 05/2019, Volume 10, Issue 1, p.2034, (2019)
The static and dynamic structural heterogeneities of B-DNA: extending Calladine–Dickerson rules,
, Nucleic Acids Research, 10/2019, (2019)
Protein Flexibility and Synergy of HMG Domains Underlie U-Turn Bending of DNA by TFAM in Solution,
, Biophysical Journal, 05/2018, Volume 114, p.2386 - 2396, (2018)