JuLib | Articles & more - {"Jülich Supercomputing Center; JSC"}

1

Journal Article

Development of a scoring function for comparing simulated and experimental tumor spheroids

Herold, Julian
2023

PLoS Computational Biology, 19 (2023) 3, S. e1010471 -

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
OpenAccess

2

Journal Article

Multiscale Modeling of Spheroid Tumors: Effect of Nutrient Availability on Tumor Evolution

Rosenbauer, Jakob
2023

The journal of physical chemistry / B, 127 (2023) 16, S. 3607–3615

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
OpenAccess

3

Journal Article

Machine learning based optimization to simulate tumor development

Herold, Julian M.
2022

Biophysical journal, 121 (2022) 3, S. 123a -

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

4

Journal Article

RNA structure prediction with direct coupling analysis

Faber, Christian
2022

Biophysical journal, 121 (2022) 3, S. 204a -

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

5

Journal Article

Cellular ATP levels are paramount for governing stability and LLPS of CAG repeat-containing RNAs inside cell

Hautke, Alexander
2022

Biophysical journal, 121 (2022) 3, S. 311a -

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

6

Journal Article

Large-scale simulation of tumor spheroid invasion dynamics

Behle, Eric
2022

Biophysical journal, 121 (2022) 3, S. 165a -

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

7

Journal Article

Using biomolecular simulations to interpret experimental data

Schug, Alexander
2022

Biophysical journal, 121 (2022) 3, S. 321a -

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

8

Journal Article

Assembly of Multi‐Spheroid Cellular Architectures by Programmable Droplet Merging

Cui, Haijun
2021

Advanced materials, 33 (2021) 4, S. 2006434 -

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
OpenAccess

9

Journal Article

pyrexMD: Workflow-Orientated Python Package for Replica Exchange Molecular Dynamics

Voronin, Arthur
2021

The journal of open source software, 6 (2021) 68, S. 3325 -

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
OpenAccess

10

Journal Article

CoCoNet—boosting RNA contact prediction by convolutional neural networks

Zerihun, Mehari B
2021

Nucleic acids research, 49 (2021) 22, S. 12661 - 12672

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Get full text OpenAccess

11

Journal Article

CORE-MD II: A fast, adaptive, and accurate enhanced sampling method

Peter, Emanuel K.
2021

The journal of chemical physics, 155 (2021) 10, S. 104114 -

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
OpenAccess OpenAccess

12

Journal Article

The Inhibitory Effect of a Coronavirus Spike Protein Fragment with ACE2

Peter, Emanuel K.
2021

Biophysical journal, 120 (2021) 6, S. 1001-1010

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Restricted Published on 2020-08-27. Available in OpenAccess from 2021-08-27.

13

Journal Article

The Trimeric Major Capsid Protein of Mavirus is stabilized by its Interlocked N-termini Enabling Core Flexibility for Capsid Assembly

Christiansen, Alexander
2021

Journal of molecular biology, 433 (2021) 7, S. 166859 -

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
OpenAccess

14

Journal Article

Dynamic particle swarm optimization of biomolecular simulation parameters with flexible objective functions

Weiel, Marie
2021

Nature machine intelligence, 3 (2021) 8, S. 727 - 734

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
OpenAccess

15

Journal Article

Evaluating DCA-based method performances for RNA contact prediction by a well-curated data set

Pucci, Fabrizio
2020

RNA, 26 (2020) 7, S. 794 - 802

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

16

Journal Article

Modeling of Wnt-mediated tissue patterning in vertebrate embryogenesis

Rosenbauer, Jakob
2020

PLoS Computational Biology, 16 (2020) 6, S. e1007417 -

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Get full text Get full text Get full text OpenAccess OpenAccess Get full text

17

Journal Article

Pcdh18a regulates endocytosis of E-cadherin during axial mesoderm development in zebrafish

Bosze, Bernadett
2020

Histochemistry and Cell Biology Histochemistry and cell biology, 154 154 (2020 2020) 5 5, S. 463-480 463-480

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
OpenAccess

18

Journal Article

FRET Dyes Significantly Affect SAXS Intensities of Proteins

Reinartz, Ines
2020

Israel journal of chemistry, 60 (2020) 7, S. 725 - 734

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
OpenAccess

19

Journal Article

CORE-MD, a path correlated molecular dynamics simulation method

Peter, Emanuel K.
2020

The journal of chemical physics, 153 (2020) 8, S. 084114 -

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Published on 2020-08-26. Available in OpenAccess from 2021-08-26.

20

Journal Article

Including residual contact information into replica-exchange MD simulations significantly enriches native-like conformations

Voronin, Arthur
2020

PLOS ONE, 15 (2020) 11, S. e0242072 -

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
OpenAccess

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