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Membrane thinning and lateral gating are consistent features of BamA across multiple species

PLoS computational biology, 2020-10, Vol.16 (10), p.e1008355-e1008355

2020

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Rapid parameterization of small molecules using the force field toolkit

Journal of computational chemistry, 2013-12, Vol.34 (32), p.2757-2770

2013

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Role of the Native Outer-Membrane Environment on the Transporter BtuB

Biophysical journal, 2016-10, Vol.111 (7), p.1409-1417

2016

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Structural and Functional Characterization of the LPS Transporter LptDE from Gram-Negative Pathogens

Structure (London), 2016-06, Vol.24 (6), p.965-976

2016

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Escherichia coli peptidoglycan structure and mechanics as predicted by atomic-scale simulations

PLoS computational biology, 2014-02, Vol.10 (2), p.e1003475

2014

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Lateral Opening and Exit Pore Formation Are Required for BamA Function

Structure (London), 2014-07, Vol.22 (7), p.1055-1062

2014

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C-terminal kink formation is required for lateral gating in BamA

Proceedings of the National Academy of Sciences - PNAS, 2018-08, Vol.115 (34), p.E7942-E7949

2018

Volltextzugriff (PDF)

Simulation-Based Approaches for Determining Membrane Permeability of Small Compounds

Journal of chemical information and modeling, 2016-04, Vol.56 (4), p.721-733

2016

Volltextzugriff (PDF)

Architecture and assembly of the Gram‐positive cell wall

Molecular microbiology, 2013-05, Vol.88 (4), p.664-672

2013

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Machine Learning Reveals the Critical Interactions for SARS-CoV‑2 Spike Protein Binding to ACE2

The journal of physical chemistry letters, 2021-06, Vol.12 (23), p.5494-5502

2021

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Substrate recognition mechanism of the endoplasmic reticulum-associated ubiquitin ligase Doa10

Nature communications, 2024-03, Vol.15 (1), p.2182-2182, Article 2182

2024

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Structure of the SecY channel during initiation of protein translocation

Nature (London), 2014-02, Vol.506 (7486), p.102-106

2014

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Conformational restriction shapes the inhibition of a multidrug efflux adaptor protein

Nature communications, 2023-07, Vol.14 (1), p.3900-3900, Article 3900

2023

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Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM

Nature communications, 2021-12, Vol.12 (1), p.7131-7131, Article 7131

2021

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Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease

Chemical science (Cambridge), 2021-01, Vol.12 (4), p.1513-1527

2021

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Development of CHARMM-Compatible Force-Field Parameters for Cobalamin and Related Cofactors from Quantum Mechanical Calculations

Journal of chemical theory and computation, 2018-02, Vol.14 (2), p.784-798

2018

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Transmembrane but not soluble helices fold inside the ribosome tunnel

Nature communications, 2018-12, Vol.9 (1), p.5246-9, Article 5246

2018

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Fatal arrhythmias: Another reason why doctors remain cautious about chloroquine/hydroxychloroquine for treating COVID-19

Heart rhythm, 2020-09, Vol.17 (9), p.1445-1451

2020

Volltextzugriff (PDF)

Coarse-grained simulations of bacterial cell wall growth reveal that local coordination alone can be sufficient to maintain rod shape

Proceedings of the National Academy of Sciences - PNAS, 2015-07, Vol.112 (28), p.E3689-E3698

2015

Volltextzugriff (PDF)

SARS-CoV-2 spike opening dynamics and energetics reveal the individual roles of glycans and their collective impact

Communications biology, 2022-11, Vol.5 (1), p.1170-1170, Article 1170

2022

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Folding and Insertion of Transmembrane Helices at the ER

International journal of molecular sciences, 2021-11, Vol.22 (23), p.12778

2021

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Outer membrane protein size and LPS O-antigen define protective antibody targeting to the Salmonella surface

Nature communications, 2020-02, Vol.11 (1), p.851-851, Article 851

2020

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Competition between inside-out unfolding and pathogenic aggregation in an amyloid-forming β-propeller

Nature communications, 2024-01, Vol.15 (1), p.155-155, Article 155

2024

Volltextzugriff (PDF)

Structural insight into toxin secretion by contact-dependent growth inhibition transporters

eLife, 2020-10, Vol.9

2020

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Molecular dynamics simulations of membrane proteins under asymmetric ionic concentrations

The Journal of general physiology, 2013-10, Vol.142 (4), p.465-475

2013

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Membrane thinning and lateral gating are consistent features of BamA across multiple species

Rapid parameterization of small molecules using the force field toolkit

Role of the Native Outer-Membrane Environment on the Transporter BtuB

Structural and Functional Characterization of the LPS Transporter LptDE from Gram-Negative Pathogens

Escherichia coli peptidoglycan structure and mechanics as predicted by atomic-scale simulations

Lateral Opening and Exit Pore Formation Are Required for BamA Function

C-terminal kink formation is required for lateral gating in BamA

Simulation-Based Approaches for Determining Membrane Permeability of Small Compounds

Architecture and assembly of the Gram‐positive cell wall

Machine Learning Reveals the Critical Interactions for SARS-CoV‑2 Spike Protein Binding to ACE2

Substrate recognition mechanism of the endoplasmic reticulum-associated ubiquitin ligase Doa10

Structure of the SecY channel during initiation of protein translocation

Conformational restriction shapes the inhibition of a multidrug efflux adaptor protein

Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM

Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease

Development of CHARMM-Compatible Force-Field Parameters for Cobalamin and Related Cofactors from Quantum Mechanical Calculations

Transmembrane but not soluble helices fold inside the ribosome tunnel

Fatal arrhythmias: Another reason why doctors remain cautious about chloroquine/hydroxychloroquine for treating COVID-19

Coarse-grained simulations of bacterial cell wall growth reveal that local coordination alone can be sufficient to maintain rod shape

SARS-CoV-2 spike opening dynamics and energetics reveal the individual roles of glycans and their collective impact

Folding and Insertion of Transmembrane Helices at the ER

Outer membrane protein size and LPS O-antigen define protective antibody targeting to the Salmonella surface

Competition between inside-out unfolding and pathogenic aggregation in an amyloid-forming β-propeller

Structural insight into toxin secretion by contact-dependent growth inhibition transporters

Molecular dynamics simulations of membrane proteins under asymmetric ionic concentrations

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