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Sensitive protein alignments at tree-of-life scale using DIAMOND

Nature methods, 2021-04, Vol.18 (4), p.366-368

2021

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Synthesis of 5-hydroxyectoine from ectoine: crystal structure of the non-heme iron(II) and 2-oxoglutarate-dependent dioxygenase EctD

PloS one, 2010-05, Vol.5 (5), p.e10647-e10647

2010

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Crystallographic Fragment Screening on the Shigella Type III Secretion System Chaperone IpgC

ACS omega, 2023-12, Vol.8 (48), p.46051-46065

2023

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Soaking suggests "alternative facts": Only co-crystallization discloses major ligand-induced interface rearrangements of a homodimeric tRNA-binding protein indicating a novel mode-of-inhibition

PloS one, 2017-04, Vol.12 (4), p.e0175723-e0175723

2017

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Investigation of specificity determinants in bacterial tRNA-guanine transglycosylase reveals queuine, the substrate of its eucaryotic counterpart, as inhibitor

PloS one, 2013-05, Vol.8 (5), p.e64240-e64240

2013

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An Integrative Approach Combining Noncovalent Mass Spectrometry, Enzyme Kinetics and X-ray Crystallography to Decipher Tgt Protein-Protein and Protein-RNA Interaction

Journal of molecular biology, 2009-11, Vol.393 (4), p.833-847

2009

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Crystal Structure of 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase, a Crucial Enzyme in the Non-mevalonate Pathway of Isoprenoid Biosynthesis

The Journal of biological chemistry, 2002-02, Vol.277 (7), p.5378-5384

2002

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CADISHI: Fast parallel calculation of particle-pair distance histograms on CPUs and GPUs

Computer physics communications, 2019-03, Vol.236, p.274-284

2019

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TriMem: A parallelized hybrid Monte Carlo software for efficient simulations of lipid membranes

The Journal of chemical physics, 2022-11, Vol.157 (17), p.174801-174801

2022

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Das L3-Programm - Effektivere Gestaltung des Unterrichts in der Berufsausbildung zum Metallbauer unter den erschwerten Bedingungen der Jugendvollzugsanstalt

Reuter, Klaus

2019

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MPCDF HPC Performance Monitoring System: Enabling Insight via Job-Specific Analysis

Euro-Par 2019: Parallel Processing Workshops, p.613-625

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A massively parallel semi-Lagrangian solver for the six-dimensional Vlasov–Poisson equation

The international journal of high performance computing applications, 2019-09, Vol.33 (5), p.924-947

2019

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Wie lassen sich die Sustainable Development Goals umsetzen?: Herausforderungen für Städte in Deutschland und die Rolle der Planung

DISP, 2019-10, Vol.55 (4), p.14-27

2019

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Evaluation of performance portability frameworks for the implementation of a particle‐in‐cell code

Concurrency and computation, 2020-06, Vol.32 (11), p.n/a

2020

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Efficient Ensemble Refinement by Reweighting

Journal of chemical theory and computation, 2019-05, Vol.15 (5), p.3390-3401

2019

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Identification, characterization and crystal structure analysis of the human spliceosomal U5 snRNP-specific 15 kd protein

Journal of molecular biology, 1999-11, Vol.294 (2), p.515-525

1999

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Entschlüsselung der ligandeninduzierten Verdrehung eines homodimeren Enzyms mit Hilfe der gepulsten Elektron‐Elektron‐Doppelresonanz‐Spektroskopie

Angewandte Chemie, 2021-10, Vol.133 (43), p.23607-23615

2021

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Crystallographic Study of Inhibitors of tRNA-guanine Transglycosylase Suggests a New Structure-based Pharmacophore for Virtual Screening

Journal of molecular biology, 2004-04, Vol.338 (1), p.55-75

2004

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Unraveling a Ligand‐Induced Twist of a Homodimeric Enzyme by Pulsed Electron–Electron Double Resonance

Angewandte Chemie International Edition, 2021-10, Vol.60 (43), p.23419-23426

International ed. in English, 2021

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19 F-NMR Unveils the Ligand-Induced Conformation of a Catalytically Inactive Twisted Homodimer of tRNA–Guanine Transglycosylase

ACS chemical biology, 2022-07, Vol.17 (7), p.1745-1755

2022

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Rapid simulation of glycoprotein structures by grafting and steric exclusion of glycan conformer libraries

Cell, 2024-02, Vol.187 (5), p.1296-1311.e26

2024

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Structural and Biochemical Investigation of the Heterodimeric Murine tRNA-Guanine Transglycosylase

ACS chemical biology, 2022-08, Vol.17 (8), p.2229-2247

2022

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19F‑NMR Unveils the Ligand-Induced Conformation of a Catalytically Inactive Twisted Homodimer of tRNA–Guanine Transglycosylase

ACS chemical biology, 2022-07, Vol.17 (7), p.1745-1755

2022

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Swapping Interface Contacts in the Homodimeric tRNA‐Guanine Transglycosylase: An Option for Functional Regulation

Angewandte Chemie International Edition, 2018-08, Vol.57 (32), p.10085-10090

International ed. in English, 2018

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Targeting a Cryptic Pocket in a Protein–Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface

ACS chemical biology, 2021-06, Vol.16 (6), p.1090-1098

2021

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Sensitive protein alignments at tree-of-life scale using DIAMOND

Synthesis of 5-hydroxyectoine from ectoine: crystal structure of the non-heme iron(II) and 2-oxoglutarate-dependent dioxygenase EctD

Crystallographic Fragment Screening on the Shigella Type III Secretion System Chaperone IpgC

Soaking suggests "alternative facts": Only co-crystallization discloses major ligand-induced interface rearrangements of a homodimeric tRNA-binding protein indicating a novel mode-of-inhibition

Investigation of specificity determinants in bacterial tRNA-guanine transglycosylase reveals queuine, the substrate of its eucaryotic counterpart, as inhibitor

An Integrative Approach Combining Noncovalent Mass Spectrometry, Enzyme Kinetics and X-ray Crystallography to Decipher Tgt Protein-Protein and Protein-RNA Interaction

Crystal Structure of 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase, a Crucial Enzyme in the Non-mevalonate Pathway of Isoprenoid Biosynthesis

CADISHI: Fast parallel calculation of particle-pair distance histograms on CPUs and GPUs

TriMem: A parallelized hybrid Monte Carlo software for efficient simulations of lipid membranes

Das L3-Programm - Effektivere Gestaltung des Unterrichts in der Berufsausbildung zum Metallbauer unter den erschwerten Bedingungen der Jugendvollzugsanstalt

MPCDF HPC Performance Monitoring System: Enabling Insight via Job-Specific Analysis

A massively parallel semi-Lagrangian solver for the six-dimensional Vlasov–Poisson equation

Wie lassen sich die Sustainable Development Goals umsetzen?: Herausforderungen für Städte in Deutschland und die Rolle der Planung

Evaluation of performance portability frameworks for the implementation of a particle‐in‐cell code

Efficient Ensemble Refinement by Reweighting

Identification, characterization and crystal structure analysis of the human spliceosomal U5 snRNP-specific 15 kd protein

Entschlüsselung der ligandeninduzierten Verdrehung eines homodimeren Enzyms mit Hilfe der gepulsten Elektron‐Elektron‐Doppelresonanz‐Spektroskopie

Crystallographic Study of Inhibitors of tRNA-guanine Transglycosylase Suggests a New Structure-based Pharmacophore for Virtual Screening

Unraveling a Ligand‐Induced Twist of a Homodimeric Enzyme by Pulsed Electron–Electron Double Resonance

19 F-NMR Unveils the Ligand-Induced Conformation of a Catalytically Inactive Twisted Homodimer of tRNA–Guanine Transglycosylase

Rapid simulation of glycoprotein structures by grafting and steric exclusion of glycan conformer libraries

Structural and Biochemical Investigation of the Heterodimeric Murine tRNA-Guanine Transglycosylase

19F‑NMR Unveils the Ligand-Induced Conformation of a Catalytically Inactive Twisted Homodimer of tRNA–Guanine Transglycosylase

Swapping Interface Contacts in the Homodimeric tRNA‐Guanine Transglycosylase: An Option for Functional Regulation

Targeting a Cryptic Pocket in a Protein–Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface

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