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SARS-CoV-2 spike protein binds to bacterial lipopolysaccharide and boosts proinflammatory activity

Journal of molecular cell biology, 2021-03, Vol.12 (12), p.916

2021

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Interaction of the antimicrobial peptide polymyxin B1 with both membranes of E. coli: a molecular dynamics study

PLoS computational biology, 2015-04, Vol.11 (4), p.e1004180-e1004180

2015

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Membrane recognition and dynamics of the RNA degradosome

PLoS genetics, 2015-02, Vol.11 (2), p.e1004961-e1004961

2015

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OmpA: A Flexible Clamp for Bacterial Cell Wall Attachment

Structure (London), 2016-12, Vol.24 (12), p.2227-2235

2016

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Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms

Journal of chemical information and modeling, 2012-03, Vol.52 (3), p.617-648

2012

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molecular basis for selective inhibition of unconventional mRNA splicing by an IRE1-binding small molecule

Proceedings of the National Academy of Sciences - PNAS, 2012-04, Vol.109 (15), p.E869-E878

2012

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Full-Length OmpA: Structure, Function, and Membrane Interactions Predicted by Molecular Dynamics Simulations

Biophysical journal, 2016-10, Vol.111 (8), p.1692-1702

2016

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SARS-CoV-2 S protein:ACE2 interaction reveals novel allosteric targets

eLife, 2021-02, Vol.10

2021

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The architecture of the OmpC–MlaA complex sheds light on the maintenance of outer membrane lipid asymmetry in Escherichia coli

The Journal of biological chemistry, 2018-07, Vol.293 (29), p.11325-11340

2018

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Structural basis for endotoxin neutralisation and anti-inflammatory activity of thrombin-derived C-terminal peptides

Nature communications, 2018-07, Vol.9 (1), p.2762-14, Article 2762

2018

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Structure mapping of dengue and Zika viruses reveals functional long-range interactions

Nature communications, 2019-03, Vol.10 (1), p.1408-1408, Article 1408

2019

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Activation of Toll-like receptors nucleates assembly of the MyDDosome signaling hub

eLife, 2018-01, Vol.7

2018

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From in silico target prediction to multi-target drug design: Current databases, methods and applications

Journal of proteomics, 2011-11, Vol.74 (12), p.2554-2574

2011

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Insertion and Assembly of Membrane Proteins via Simulation

Journal of the American Chemical Society, 2006-03, Vol.128 (8), p.2697-2704

2006

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Membrane platform protein PulF of the Klebsiella type II secretion system forms a trimeric ion channel essential for endopilus assembly and protein secretion

mBio, 2024-01, Vol.15 (1), p.e0142323

2024

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Pushing the Envelope: Dengue Viral Membrane Coaxed into Shape by Molecular Simulations

Structure (London), 2016-08, Vol.24 (8), p.1410-1420

2016

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The Structural Basis for Lipid and Endotoxin Binding in RP105-MD-1, and Consequences for Regulation of Host Lipopolysaccharide Sensitivity

Structure (London), 2016-01, Vol.24 (1), p.200-211

2016

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A pH-dependent cluster of charges in a conserved cryptic pocket on flaviviral envelopes

eLife, 2023-05, Vol.12

2023

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Coarse-grained molecular dynamics simulations of membrane proteins and peptides

Journal of structural biology, 2007-03, Vol.157 (3), p.593-605

2007

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Publisher Correction: Targeting Toll-like receptor-driven systemic inflammation by engineering an innate structural fold into drugs

Nature communications, 2023-10, Vol.14 (1), p.6436-6436, Article 6436

2023

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Targeting Toll-like receptor-driven systemic inflammation by engineering an innate structural fold into drugs

Nature communications, 2023-09, Vol.14 (1), p.6097-6097, Article 6097

2023

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Molecular basis of dengue virus serotype 2 morphological switch from 29°C to 37°C

PLoS pathogens, 2019-09, Vol.15 (9), p.e1007996

2019

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Dynamics of Crowded Vesicles: Local and Global Responses to Membrane Composition

PloS one, 2016-06, Vol.11 (6), p.e0156963-e0156963

2016

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The severity of hereditary porphyria is modulated by the porphyrin exporter and Lan antigen ABCB6

Nature communications, 2016-08, Vol.7 (1), p.12353-12353, Article 12353

2016

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SARS-CoV-2 spike protein binds to bacterial lipopolysaccharide and boosts proinflammatory activity

Interaction of the antimicrobial peptide polymyxin B1 with both membranes of E. coli: a molecular dynamics study

Membrane recognition and dynamics of the RNA degradosome

OmpA: A Flexible Clamp for Bacterial Cell Wall Attachment

Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms

molecular basis for selective inhibition of unconventional mRNA splicing by an IRE1-binding small molecule

Full-Length OmpA: Structure, Function, and Membrane Interactions Predicted by Molecular Dynamics Simulations

SARS-CoV-2 S protein:ACE2 interaction reveals novel allosteric targets

The architecture of the OmpC–MlaA complex sheds light on the maintenance of outer membrane lipid asymmetry in Escherichia coli

Somatic genetic rescue of a germline ribosome assembly defect

Structural basis for endotoxin neutralisation and anti-inflammatory activity of thrombin-derived C-terminal peptides

Structure mapping of dengue and Zika viruses reveals functional long-range interactions

Activation of Toll-like receptors nucleates assembly of the MyDDosome signaling hub

From in silico target prediction to multi-target drug design: Current databases, methods and applications

Insertion and Assembly of Membrane Proteins via Simulation

Membrane platform protein PulF of the Klebsiella type II secretion system forms a trimeric ion channel essential for endopilus assembly and protein secretion

Pushing the Envelope: Dengue Viral Membrane Coaxed into Shape by Molecular Simulations

The Structural Basis for Lipid and Endotoxin Binding in RP105-MD-1, and Consequences for Regulation of Host Lipopolysaccharide Sensitivity

A pH-dependent cluster of charges in a conserved cryptic pocket on flaviviral envelopes

Coarse-grained molecular dynamics simulations of membrane proteins and peptides

Publisher Correction: Targeting Toll-like receptor-driven systemic inflammation by engineering an innate structural fold into drugs

Targeting Toll-like receptor-driven systemic inflammation by engineering an innate structural fold into drugs

Molecular basis of dengue virus serotype 2 morphological switch from 29°C to 37°C

Dynamics of Crowded Vesicles: Local and Global Responses to Membrane Composition

The severity of hereditary porphyria is modulated by the porphyrin exporter and Lan antigen ABCB6

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