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SenseNet, a tool for analysis of protein structure networks obtained from molecular dynamics simulations

PloS one, 2022-03, Vol.17 (3), p.e0265194-e0265194

2022

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Thiazoline-Specific Amidohydrolase PurAH Is the Gatekeeper of Bottromycin Biosynthesis

Journal of the American Chemical Society, 2019-06, Vol.141 (25), p.9748-9752

2019

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Repurposing human kinase inhibitors to create an antibiotic active against drug-resistant Staphylococcus aureus, persisters and biofilms

Nature chemistry, 2020-02, Vol.12 (2), p.145-158

2020

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Recognition of 5-hydroxymethylcytosine by the Uhrf1 SRA domain

PloS one, 2011-06, Vol.6 (6), p.e21306-e21306

2011

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Broad spectrum antibiotic-degrading metallo-β-lactamases are phylogenetically diverse

Protein & cell, 2020-08, Vol.11 (8), p.613-617

2020

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Phenyl Esters Are Potent Inhibitors of Caseinolytic Protease P and Reveal a Stereogenic Switch for Deoligomerization

Journal of the American Chemical Society, 2015-07, Vol.137 (26), p.8475-8483

2015

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BiPPred: Combined sequence- and structure-based prediction of peptide binding to the Hsp70 chaperone BiP

Proteins, structure, function, and bioinformatics, 2016-10, Vol.84 (10), p.1390-1407

2016

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DynaDock: A new molecular dynamics-based algorithm for protein-peptide docking including receptor flexibility

Proteins, structure, function, and bioinformatics, 2010-04, Vol.78 (5), p.1084-1104

Antes, Iris

2010

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Bap (Sil1) regulates the molecular chaperone BiP by coupling release of nucleotide and substrate

Nature structural & molecular biology, 2018-01, Vol.25 (1), p.90-100

2018

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Prediction of VH-VL domain orientation for antibody variable domain modeling

Proteins, structure, function, and bioinformatics, 2015-04, Vol.83 (4), p.681-695

2015

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Regulation of the hepatitis C virus RNA replicase by endogenous lipid peroxidation

Nature medicine, 2014-08, Vol.20 (8), p.927-935

2014

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Predicting MHC class I epitopes in large datasets

BMC bioinformatics, 2010-02, Vol.11 (1), p.90-90, Article 90

2010

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Systematic analysis of the binding behaviour of UHRF1 towards different methyl- and carboxylcytosine modification patterns at CpG dyads

PloS one, 2020-02, Vol.15 (2), p.e0229144-e0229144

2020

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Ca2+ binding induced sequential allosteric activation of sortase A: An example for ion-triggered conformational selection

PloS one, 2018-10, Vol.13 (10), p.e0205057-e0205057

2018

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Comparison of allosteric signaling in DnaK and BiP using mutual information between simulated residue conformations

Proteins, structure, function, and bioinformatics, 2023-02, Vol.91 (2), p.237-255

2023

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Quantitative Analysis of the Association Angle between T-cell Receptor Vα/Vβ Domains Reveals Important Features for Epitope Recognition

PLoS computational biology, 2015-07, Vol.11 (7), p.e1004244-e1004244

2015

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A combined in silico and in vitro study on mouse Serpina1a antitrypsin-deficiency mutants

Scientific reports, 2019-05, Vol.9 (1), p.7486-7486, Article 7486

2019

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Identification of CYP106A2 as a Regioselective Allylic Bacterial Diterpene Hydroxylase

Chembiochem : a European journal of chemical biology, 2011-03, Vol.12 (4), p.576-582

2011

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Ketoamide Resistance and Hepatitis C Virus Fitness in Val55 Variants of the NS3 Serine Protease

Antimicrobial Agents and Chemotherapy, 2012-04, Vol.56 (4), p.1907-1915

2012

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Turning the Actin Nucleating Compound Miuraenamide into Nucleation Inhibitors

ACS omega, 2021-08, Vol.6 (34), p.22165-22172

2021

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Adjusted Connection Atoms for Combined Quantum Mechanical and Molecular Mechanical Methods

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 1999-11, Vol.103 (46), p.9290-9295

1999

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Investigation of the pH-dependent aggregation mechanisms of GCSF using low resolution protein characterization techniques and advanced molecular dynamics simulations

Computational and structural biotechnology journal, 2022-01, Vol.20, p.1439-1455

2022

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IRECS: A new algorithm for the selection of most probable ensembles of side‐chain conformations in protein models

Protein science, 2007-07, Vol.16 (7), p.1294-1307

2007

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1,4-Disubstituted 1H-1,2,3-Triazole Containing Peptidotriazolamers: A New Class of Peptidomimetics With Interesting Foldamer Properties

Frontiers in chemistry, 2019-03, Vol.7, p.155-155

2019

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Key Features Relevant to Select Antigens and TCR From the MHC-Mismatched Repertoire to Treat Cancer

Frontiers in immunology, 2019-06, Vol.10, p.1485-1485

2019

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SenseNet, a tool for analysis of protein structure networks obtained from molecular dynamics simulations

Thiazoline-Specific Amidohydrolase PurAH Is the Gatekeeper of Bottromycin Biosynthesis

Repurposing human kinase inhibitors to create an antibiotic active against drug-resistant Staphylococcus aureus, persisters and biofilms

Recognition of 5-hydroxymethylcytosine by the Uhrf1 SRA domain

Broad spectrum antibiotic-degrading metallo-β-lactamases are phylogenetically diverse

Phenyl Esters Are Potent Inhibitors of Caseinolytic Protease P and Reveal a Stereogenic Switch for Deoligomerization

BiPPred: Combined sequence- and structure-based prediction of peptide binding to the Hsp70 chaperone BiP

DynaDock: A new molecular dynamics-based algorithm for protein-peptide docking including receptor flexibility

Bap (Sil1) regulates the molecular chaperone BiP by coupling release of nucleotide and substrate

Prediction of VH-VL domain orientation for antibody variable domain modeling

Regulation of the hepatitis C virus RNA replicase by endogenous lipid peroxidation

Predicting MHC class I epitopes in large datasets

Systematic analysis of the binding behaviour of UHRF1 towards different methyl- and carboxylcytosine modification patterns at CpG dyads

Ca2+ binding induced sequential allosteric activation of sortase A: An example for ion-triggered conformational selection

Comparison of allosteric signaling in DnaK and BiP using mutual information between simulated residue conformations

Quantitative Analysis of the Association Angle between T-cell Receptor Vα/Vβ Domains Reveals Important Features for Epitope Recognition

A combined in silico and in vitro study on mouse Serpina1a antitrypsin-deficiency mutants

Identification of CYP106A2 as a Regioselective Allylic Bacterial Diterpene Hydroxylase

Ketoamide Resistance and Hepatitis C Virus Fitness in Val55 Variants of the NS3 Serine Protease

Turning the Actin Nucleating Compound Miuraenamide into Nucleation Inhibitors

Adjusted Connection Atoms for Combined Quantum Mechanical and Molecular Mechanical Methods

Investigation of the pH-dependent aggregation mechanisms of GCSF using low resolution protein characterization techniques and advanced molecular dynamics simulations

IRECS: A new algorithm for the selection of most probable ensembles of side‐chain conformations in protein models

1,4-Disubstituted 1H-1,2,3-Triazole Containing Peptidotriazolamers: A New Class of Peptidomimetics With Interesting Foldamer Properties

Key Features Relevant to Select Antigens and TCR From the MHC-Mismatched Repertoire to Treat Cancer

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