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1

Journal Article

Residue coevolution and mutational landscape for OmpR and NarL: You can teach old dogs new tricks

Schug, Alexander
2024

Biophysical journal, 123 (2024) 6, S. 653 - 654

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

2

Journal Article

pycofitness—Evaluating the fitness landscape of RNA and protein sequences

Pucci, Fabrizio
2024

Bioinformatics, 40 (2024) 2, S. btae074

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

3

Journal Article

RNA contact prediction by data efficient deep learning

Taubert, Oskar
2023

Communications biology, 6 (2023) 1, S. 913

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

4

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

5

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

6

Journal Article

CAG-Repeat RNA Hairpin Folding and Recruitment to Nuclear Speckles with a Pivotal Role of ATP as a Cosolute

Hautke, Alexander
2023

Journal of the American Chemical Society, 145 (2023) 17, S. 9571 - 9583

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

7

Journal Article

Selection of representative structures from large biomolecular ensembles

Voronin, Artur
2022

The journal of chemical physics, 156 (2022) 14, S. 144102 -

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

8

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...”

9

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...”

10

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...”

11

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...”

12

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...”

13

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

14

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

15

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

16

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

17

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

18

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

19

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.

20

Journal Article

pydca v1.0: a comprehensive software for direct coupling analysis of RNA and protein sequences

Zerihun, Mehari B
2020

Bioinformatics, 36 (2020) 7, S. 2264 - 2265

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Published on 2019-11-28. Available in OpenAccess from 2020-11-28. Restricted Published on 2019-11-28. Available in OpenAccess from 2020-11-28. Published on 2019-11-28. Available in OpenAccess from 2020-11-28. Restricted Published on 2019-11-28. Available in OpenAccess from 2020-11-28.

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