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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

“...Forschergruppe Gohlke...”

Get full text Published on 2023-04-06. Available in OpenAccess from 2024-04-06.

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

Bleffert, Florian
2022

eLife, 11 (2022) S. e72824

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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

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Promiscuous Esterases Counterintuitively Are Less Flexible than Specific Ones

Nutschel, Christina
2021

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

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Get full text Published on 2021-05-05. Available in OpenAccess from 2022-05-05.

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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

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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

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Get full text Published on 2021-11-08. Available in OpenAccess from 2022-11-08.

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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

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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

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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

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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

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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

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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

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Pseudomonas aeruginosa esterase PA2949, a bacterial homolog of the human membrane esterase ABHD6: expression, purification and crystallization

Bleffert, Florian
2019

Acta crystallographica / F Structural biology communications Section F, F75 (2019) 4, S. 270 - 277

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Gohlke, Holger 11 Jaeger, Karl-Erich Kovacic, Filip 7 Dollinger, Peter 3 Schwaneberg, Ulrich 3 Verma, Neha 3 more ... Batra-Safferling, Renu 2 Bleffert, Florian 2 Davari, Mehdi D. 2 El Harrar, Till 2 Gohlke, Christina 2 Granzin, Joachim 2 Kubiak, Jakub 2 Schott-Verdugo, Stephan 2 Seidel, Claus A. M. 2 Strunk, Christoph 2 Ahmad, Sabahuddin 1 Caliskan, Muttalip 1 Chow, Jennifer 1 Coscolín, Cristina 1 David, Benoit 1 Dimura, Mykola 1 Dittrich, Jonas 1 Dörmann, Peter 1 Etzkorn, Manuel 1 Felgner, Sebastian 1 Ferrer, Manuel 1 Frieg, Benedikt 1 Fulton, Alexander 1 Gertzen, Christoph G. W. 1 see all ... less ...

Forschergruppe Gohlke 11 Domain-Specific Simulation & Data Life Cycle Labs (SDLs) and Research Groups 7 Biological and environmental resources for sustainable use 6 Computational Science and Mathematical Methods 5 Utilization of renewable carbon and energy sources and engineering of ecosystem functions 4 Analysis of the conformational changes during activation of lipase A by its foldase 3 more ... Biotechnology 2 Conformational dynamics of the unbound lipase-specific foldase Lif 2 Molecular Information Processing in Cellular Systems 2 Center for Simulation and Data Science (CSD) - School for Simulation and Data Science (SSD) 1 Doktorand ohne besondere Förderung 1 Functional Macromolecules and Complexes 1 SFB 1208: Identität und Dynamik von Membransystemen - von Molekülen bis zu zellulären Funktionen 1 Zentrum für strukturelle Studien 1 see all ... less ...

John von Neumann - Institut für Computing; NIC 11 Jülich Supercomputing Center; JSC 11 Institut für Molekulare Enzymtechnologie (HHUD); IMET 9 Bioinformatik; IBG-4 6 Strukturbiochemie; IBI-7 6 Strukturbiochemie; ICS-6 4 more ... Biotechnologie; IBG-1 2 Pflanzenwissenschaften; IBG-2 1 see all ... less ...

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