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

1

Resolution of Maximum Entropy Method-Derived Posterior Conformational Ensembles of a Flexible System Probed by FRET and Molecular Dynamics Simulations

Dittrich, Jonas
2023

Journal of chemical theory and computation, 19 (2023) 8, S. 2389 - 2409

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Get full text Published on 2023-04-06. Available in OpenAccess from 2024-04-06.

2

Journal Article

Structural, mechanistic and physiological insights into phospholipase A-mediated membrane phospholipid degradation in Pseudomonas aeruginosa

Bleffert, Florian
2022

eLife, 11 (2022) S. e72824

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
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3

Journal Article

Critical Assessment of Structure-based Approaches to Improve Protein Resistance in Aqueous Ionic Liquids by Enzyme-wide Saturation Mutagenesis

El Harrar, Till
2022

Computational and structural biotechnology journal, 20 (2022) S. 399-409

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

4

Journal Article

Substrate Access Mechanism in a Novel Membrane-Bound Phospholipase A of Pseudomonas aeruginosa Concordant with Specificity and Regioselectivity

Ahmad, Sabahuddin
2021

Journal of chemical information and modeling, 61 (2021) 11, S. 5626–5643

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Get full text Published on 2021-11-08. Available in OpenAccess from 2022-11-08.

5

Journal Article

A promiscuous ancestral enzyme´s structure unveils protein variable regions of the highly diverse metallo-β-lactamase family

Perez-Garcia, Pablo
2021

Communications biology, 4 (2021) 1, S. 132

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

6

Journal Article

Promiscuous Esterases Counterintuitively Are Less Flexible than Specific Ones

Nutschel, Christina
2021

Journal of chemical information and modeling, 61 (2021) 5, S. 2383 - 2395

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Get full text Published on 2021-05-05. Available in OpenAccess from 2022-05-05.

7

Journal Article

Aqueous ionic liquids redistribute local enzyme stability via long-range perturbation pathways

El Harrar, Till
2021

Computational and structural biotechnology journal, 19 (2021) S. 4248-4264

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
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8

Journal Article

Structural and dynamic insights revealing how lipase binding domain MD1 of Pseudomonas aeruginosa foldase affects lipase activation

Viegas, Aldino
2020

Scientific reports, 10 (2020) 1, S. 3578

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
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9

Journal Article

The Membrane-Integrated Steric Chaperone Lif Facilitates Active Site Opening of Pseudomonas aeruginosa Lipase A

Verma, Neha
2020

Journal of computational chemistry, 4 (2020) 6, S. 500-512

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Restricted Published on 2019-10-16. Available in OpenAccess from 2020-10-16. Published on 2019-10-16. Available in OpenAccess from 2020-10-16. Restricted

10

Journal Article

Systematically scrutinizing the impact of substitution sites on thermostability and detergent tolerance for Bacillus subtilis lipase A

Nutschel, Christina
2020

Journal of chemical information and modeling, 60 (2020) 3, S. 1568-1584

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Published on 2020-01-06. Available in OpenAccess from 2021-01-06. Restricted Restricted Published on 2020-01-06. Available in OpenAccess from 2021-01-06. Restricted Restricted Restricted Restricted