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Biologie / ZMB / Computational Biochemistry
Anschrift
Universitätsstr 2
45117 Essen
45117 Essen
Raum
T03 R01 D39
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Funktionen
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Professor/in, Computational Biochemistry
Aktuelle Veranstaltungen
Vergangene Veranstaltungen (max. 10)
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WiSe 2024
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WiSe 2023
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SoSe 2023
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WiSe 2022
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SoSe 2022
Die folgenden Publikationen sind in der Online-Universitätsbibliographie der Universität Duisburg-Essen verzeichnet. Weitere Informationen finden Sie gegebenenfalls auch auf den persönlichen Webseiten der Person.
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Allosteric Modulation of Pathological Ataxin-3 Aggregation : A Path to Spinocerebellar Ataxia Type-3 TherapiesIn: Advanced Science, 2025, in pressDOI (Open Access)
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Conformational plasticity of a BiP-GRP94 chaperone complexIn: Nature Structural & Molecular Biology, Jg. 32, 2025, Nr. 10, S. 1947 – 1958DOI (Open Access)
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Trypstatin as a Novel TMPRSS2 Inhibitor with Broad-Spectrum Efficacy against Corona and Influenza VirusesIn: Advanced Science, Jg. 12, 2025, Nr. 25, 2506430DOI (Open Access)
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Fatty acid conjugated EPI-X4 derivatives with increased activity and in vivo stabilityIn: Journal of Controlled Release, Jg. 373, 2024, S. 583 – 598DOI (Open Access)
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Rational correction of pathogenic conformational defects in HTRA1In: Nature Communications, Jg. 15, 2024, Nr. 1, 5944DOI (Open Access)
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TopBP1 utilises a bipartite GINS binding mode to support genome replicationIn: Nature Communications, Jg. 15, 2024, Nr. 1, 1797DOI, Online Volltext (Open Access)
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Chirality control of a single carbene molecule by tip-induced van der Waals interactionsIn: Nature Communications, Jg. 14, 2023, Nr. 1, 4500DOI (Open Access)
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Development of a New Class of CXCR4-Targeting Radioligands Based on the Endogenous Antagonist EPI-X4 for Oncological ApplicationsIn: Journal of Medicinal Chemistry, Jg. 66, 2023, Nr. 13, S. 8484 – 8497DOI (Open Access)
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Molecular Tweezers : Supramolecular Hosts with Broad-Spectrum Biological ApplicationsIn: Pharmacological Reviews, Jg. 75, 2023, Nr. 2, S. 263 – 308DOI, Online Volltext (Open Access)
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Multivalent Molecular Tweezers Disrupt the Essential NDC80 Interaction with MicrotubulesIn: Journal of the American Chemical Society: JACS, Jg. 145, 2023, Nr. 28, S. 15251 – 15264
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Spermine and spermidine bind CXCR4 and inhibit CXCR4- but not CCR5-tropic HIV-1 infectionIn: Science Advances, Jg. 9, 2023, Nr. 27, eadf8251DOI (Open Access)
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The C-terminal 32-mer fragment of hemoglobin alpha is an amyloidogenic peptide with antimicrobial propertiesIn: Cellular and Molecular Life Sciences - CMLS, Jg. 80, 2023, Nr. 6, S. 151DOI (Open Access)
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ABP-Finder : A Tool to Identify Antibacterial Peptides and the Gram-Staining Type of Targeted BacteriaIn: Antibiotics, Jg. 11, 2022, Nr. 12, 1708DOI (Open Access)
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Advanced EPI-X4 Derivatives Covalently Bind Human Serum Albumin Resulting in Prolonged Plasma StabilityIn: International Journal of Molecular Sciences (IJMS), Jg. 23, 2022, Nr. 23, 15029DOI (Open Access)
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Advanced Molecular Tweezers with Lipid Anchors against SARS-CoV-2 and Other Respiratory VirusesIn: JACS Au, Jg. 2, 2022, Nr. 9, S. 2187 – 2202DOI (Open Access)
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An allosteric HTRA1-calpain 2 complex with restricted activation profileIn: Proceedings of the National Academy of Sciences of the United States of America (PNAS), Jg. 119, 2022, Nr. 14, e2113520119DOI, Online Volltext (Open Access)
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Dimerization of the Peptide CXCR4-Antagonist on Macromolecular and Supramolecular Protraction Arms Affords Increased Potency and Enhanced Plasma StabilityIn: Bioconjugate Chemistry, Jg. 33, 2022, Nr. 4, S. 594 – 607
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Effect of Organic Solvents on the Structure and Activity of a Minimal LipaseIn: The Journal of Organic Chemistry, Jg. 87, 2022, Nr. 3, S. 1669 – 1678
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PPI-Affinity : A Web Tool for the Prediction and Optimization of Protein-Peptide and Protein-Protein Binding AffinityIn: Journal of Proteome Research, Jg. 21, 2022, Nr. 8, S. 1829 – 1841DOI (Open Access)
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Selective Disruption of Survivin's Protein-Protein Interactions : A Supramolecular Approach Based on GuanidiniocarbonylpyrroleIn: ChemBioChem, Jg. 23, 2022, Nr. 5, e202100618DOI (Open Access)
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Superoxide Dismutase 1 Folding Stability as a Target for Molecular Tweezers in SOD1-Related Amyotrophic Lateral SclerosisIn: ChemBioChem, Jg. 23, 2022, Nr. 21, e202200396DOI (Open Access)
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Surface Diffusion Aided by a Chirality Change of Self-Assembled Oligomers under 2D ConfinementIn: Angewandte Chemie International Edition, Jg. 61, 2022, Nr. 43, e202212245DOI (Open Access)
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The role of DNA nanostructures in the catalytic properties of an allosterically regulated proteaseIn: Science Advances, Jg. 8, 2022, Nr. 1, abk0425DOI (Open Access)
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Alpha-1 antitrypsin inhibits TMPRSS2 protease activity and SARS-CoV-2 infectionIn: Nature Communications, Jg. 12, 2021, Nr. 1, S. 1726DOI (Open Access)
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An optimized derivative of an endogenous CXCR4 antagonist prevents atopic dermatitis and airway inflammationIn: Acta Pharmaceutica Sinica B, Jg. 11, 2021, Nr. 9, S. 2694 – 2708DOI (Open Access)
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Cdc4 phospho-degrons allow differential regulation of ame1ceⁿp⁻u protein stability across the cell cycleIn: eLife, Jg. 10, 2021, e67390DOI (Open Access)
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Computational modeling and experimental validation of the EPI-X4/CXCR4 complex allows rational design of small peptide antagonistsIn: Communications Biology, Jg. 4, 2021, Nr. 1, 1113DOI (Open Access)
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Controlling Reactivity : Real-Space Imaging of a Surface Metal CarbeneIn: Journal of the American Chemical Society: JACS, Jg. 143, 2021, Nr. 12, S. 4653 – 4660
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Inhibition of Staphylococcus aureus biofilm-forming functional amyloid by molecular tweezersIn: Cell Chemical Biology, Jg. 28, 2021, Nr. 9, S. 1310 – 1320.e5DOI, Online Volltext (Open Access)
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Rational prioritization strategy allows the design of macrolide derivatives that overcome antibiotic resistanceIn: Proceedings of the National Academy of Sciences of the United States of America (PNAS), Jg. 118, 2021, Nr. 46, e2113632118DOI (Open Access)
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Sequential Hydrogen Tunneling in o-TolylmethyleneIn: Chemistry - A European Journal, Jg. 27, 2021, Nr. 71, S. 17873 – 17879DOI (Open Access)
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Specific inhibition of the Survivin–CRM1 interaction by peptide-modified molecular tweezersIn: Nature Communications, Jg. 12, 2021, Nr. 1, S. 1505DOI, Online Volltext (Open Access)
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A Placenta Derived C-Terminal Fragment of β-Hemoglobin With Combined Antibacterial and Antiviral ActivityIn: Frontiers in Microbiology, Jg. 11, 2020, S. 508DOI (Open Access)
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Adoption of a Turn Conformation Drives the Binding Affinity of p53 C-Terminal Domain Peptides to 14-3-3σIn: ACS Chemical Biology, Jg. 15, 2020, Nr. 1, S. 262 – 271DOI (Open Access)
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CL-FEP: An End-State Free Energy Perturbation ApproachIn: Journal of Chemical Theory and Computation (JCTC), Jg. 16, 2020, Nr. 3, S. 1396 – 1410
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Heavy-Atom Tunneling in Semibullvalenes : How Driving Force, Substituents, and Environment Influence the Tunneling RatesIn: Chemistry - A European Journal, Jg. 26, 2020, Nr. 46, S. 10452 – 10458DOI (Open Access)
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Peptide and peptide-based inhibitors of SARS-CoV-2 entryIn: Advanced Drug Delivery Reviews, Jg. 167, 2020, S. 47 – 65DOI (Open Access)
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Quantum mechanics/molecular mechanics multiscale modeling of biomoleculesIn: Advances in Physical Organic Chemistry, Jg. 54, 2020, S. 143 – 183
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Respiratory ß-2-Microglobulin exerts pH dependent antimicrobial activityIn: Virulence, Jg. 11, 2020, Nr. 1, S. 1402 – 1414DOI (Open Access)
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Supramolecular Mechanism of Viral Envelope Disruption by Molecular TweezersIn: Journal of the American Chemical Society: JACS, Jg. 142, 2020, Nr. 40, S. 17024 – 17038DOI (Open Access)
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Chemical Validation of DegS As a Target for the Development of Antibiotics with a Novel Mode of ActionIn: ChemMedChem, Jg. 14, 2019, Nr. 11, S. 1074 – 1078
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Control of TLR7-mediated type i IFN signaling in pDCs through CXCR4 engagement - A new target for lupus treatmentIn: Science Advances, Jg. 5, 2019, Nr. 7, S. eaav9019DOI (Open Access)
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Gas-Phase Deprotonation of Benzhydryl Cations : Carbene Basicity, Multiplicity, and RearrangementsIn: The Journal of Organic Chemistry, Jg. 84, 2019, Nr. 12, S. 7685 – 7693
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How protic solvents determine the reaction mechanisms of diphenylcarbene in solutionIn: The Journal of Organic Chemistry, Jg. 84, 2019, Nr. 18, S. 11450 – 11457
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Multivalent Ligands with Tailor-Made Anion Binding Motif as Stabilizers of Protein–Protein InteractionsIn: ChemBioChem, Jg. 20, 2019, Nr. 23, S. 2921 – 2926
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PPI-Detect: A support vector machine model for sequence-based prediction of protein–protein interactionsIn: Journal of Computational Chemistry, Jg. 40, 2019, Nr. 11, S. 1233 – 1242
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ProtDCal-Suite : A web server for the numerical codification and functional analysis of proteinsIn: Protein Science, Jg. 28, 2019, Nr. 9, S. 1734 – 1743DOI (Open Access)
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Solvent-Enhanced Conformational Flexibility of Cyclic TetrapeptidesIn: ChemPhysChem, Jg. 20, 2019, Nr. 13, S. 1664 – 1670
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A Multiperspective Approach to Solvent Regulation of Enzymatic Activity : HMG-CoA ReductaseIn: ChemBioChem, Jg. 19, 2018, Nr. 2, S. 153 – 158
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Evolution of the Optical Gap in the Acene Series : UndecaceneIn: Angewandte Chemie International Edition, Jg. 57, 2018, Nr. 33, S. 10506 – 10509
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Mechanism of Inhibition of Beta Amyloid Toxicity by Supramolecular TweezersIn: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry, Jg. 122, 2018, Nr. 15, S. 4196 – 4205
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Molecular recognition of carboxylates in the protein leucine zipper by a multivalent supramolecular ligand : Residue-specific, sensitive and label-free probing by UV resonance Raman spectroscopyIn: Physical Chemistry, Chemical Physics (PCCP), Jg. 20, 2018, Nr. 3, S. 1817 – 1820
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Mono- and Bivalent 14-3-3 Inhibitors for Characterizing Supramolecular “Lysine Wrapping” of Oligoethylene Glycol (OEG) Moieties in ProteinsIn: Chemistry - A European Journal, 2018DOI, Online Volltext (Open Access)
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Rational Design, Binding Studies, and Crystal-Structure Evaluation of the First Ligand Targeting the Dimerization Interface of the 14-3-3ζ Adapter ProteinIn: ChemBioChem, Jg. 19, 2018, Nr. 6, S. 591 – 595
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Reactions of Cyclopentadienylidenes with CF₃I: Electron Bond Donation versus Halogen Bond Donation of the Iodine AtomIn: The Journal of Organic Chemistry, Jg. 83, 2018, Nr. 15, S. 7586 – 7592
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Self-assembly of Mutant Huntingtin Exon-1 Fragments into Large Complex Fibrillar Structures Involves Nucleated BranchingIn: Journal of Molecular Biology (JMB), Jg. 430, 2018, Nr. 12, S. 1725 – 1744DOI (Open Access)
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The Interaction Modes of Haloimidazolium Salts in SolutionIn: Chemistry - A European Journal, Jg. 24, 2018, Nr. 14, S. 3464 – 3473
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The Interaction Modes of Haloimidazolium Salts in Solution (Note)In: Chemistry - A European Journal, Jg. 24, 2018, Nr. 14, S. 3344DOI (Open Access)
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Elucidation of the Catalytic Mechanism of a Miniature Zinc Finger HydrolaseIn: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry, Jg. 121, 2017, Nr. 26, S. 6390 – 6398DOI, Online Volltext (Open Access)
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Inhibition of Huntingtin Exon-1 Aggregation by the Molecular Tweezer CLR01In: Journal of the American Chemical Society: JACS, Jg. 139, 2017, Nr. 16, S. 5640 – 5643DOI, Online Volltext (Open Access)
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Is Magnetic Bistability of Carbenes a General Phenomenon? : Isolation of Simple Aryl(trifluoromethyl)carbenes in Both Their Singlet and Triplet StatesIn: Journal of the American Chemical Society: JACS, Jg. 139, 2017, Nr. 35, S. 12310 – 12316
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Tailored protein encapsulation into a DNA host using geometrically organized supramolecular interactionsIn: Nature Communications, Jg. 8, 2017, S. 14472DOI, Online Volltext (Open Access)
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The Molecular Tweezer CLR01 Stabilizes a Disordered Protein-Protein InterfaceIn: Journal of the American Chemical Society: JACS, Jg. 139, 2017, Nr. 45, S. 16256 – 16263DOI (Open Access)
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Competitive solvent-molecule interactions govern primary processes of diphenylcarbene in solvent mixturesIn: Nature Communications, Jg. 7, 2016, S. 12968DOI (Open Access)
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Electronically Excited States of Higher Acenes up to Nonacene: A Density Functional Theory/Multireference Configuration Interaction StudyIn: Journal of Chemical Theory and Computation (JCTC), Jg. 12, 2016, Nr. 1, S. 305 – 312
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Light and Temperature Control of the Spin State of Bis(p-methoxyphenyl)carbene : A Magnetically Bistable CarbeneIn: Journal of the American Chemical Society: JACS, Jg. 138, 2016, Nr. 5, S. 1622 – 1629
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Molecular tweezers target a protein-protein interface and thereby modulate complex formationIn: Chemical Communications: ChemComm, Jg. 52, 2016, Nr. 98, S. 14141 – 14144DOI (Open Access)
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Quantitative interaction mapping reveals an extended UBX domain in ASPL that disrupts functional p97 hexamersIn: Nature Communications, Jg. 7, 2016, S. 13047DOI (Open Access)
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Switching the Spin State of Diphenylcarbene via Halogen BondingIn: Journal of the American Chemical Society: JACS, Jg. 138, 2016, Nr. 5, S. 1689 – 1697
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A molecular tweezer antagonizes seminal amyloids and HIV infectionIn: eLife, Jg. 4, 2015, Nr. 8, S. e05397DOI (Open Access)
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Complexes of nitric oxide with water and imidazoleIn: Theoretical Chemistry Accounts, Jg. 134, 2015, Nr. 7, S. 88DOI, Online Volltext (Open Access)
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Data in support of substrate flexibility of a mutated acyltransferase domain and implications for polyketide biosynthesisIn: Data in Brief, Jg. 5, 2015, S. 528 – 536DOI (Open Access)
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Hybrid quantum mechanics/molecular mechanics/coarse grained modeling : A triple-resolution approach for biomolecular systemsIn: Journal of Chemical Theory and Computation (JCTC), Jg. 11, 2015, Nr. 4, S. 1809 – 1818
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Molecular tweezers inhibit islet amyloid polypeptide assembly and toxicity by a new mechanismIn: ACS Chemical Biology, Jg. 10, 2015, Nr. 6, S. 1555 – 1569DOI, Online Volltext (Open Access)
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Substrate Flexibility of a Mutated Acyltransferase Domain and Implications for Polyketide BiosynthesisIn: Chemistry and Biology, Jg. 22, 2015, Nr. 11, S. 1425 – 1430DOI, Online Volltext (Open Access)
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The Fluorenyl CationIn: Angewandte Chemie International Edition, Jg. 54, 2015, Nr. 9, S. 2656 – 2660
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Understanding the ionic liquid [NC₄₁₁₁][NTf₂] from individual building blocks : An IR-spectroscopic studyIn: Physical Chemistry, Chemical Physics (PCCP), Jg. 17, 2015, Nr. 13, S. 8518 – 8529
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Photo-stability of peptide-bond aggregates: N-methylformamide dimersIn: Physical Chemistry, Chemical Physics (PCCP), Jg. 16, 2014, Nr. 35, S. 18877 – 18887
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Predicted incorporation of non-native substrates by a polyketide synthase yields bioactive natural product derivativesIn: ChemBioChem, Jg. 15, 2014, Nr. 13, S. 1991 – 1997
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Solvent-induced conformational changes in cyclic peptides : A vibrational circular dichroism studyIn: Physical Chemistry, Chemical Physics (PCCP), Jg. 16, 2014, Nr. 12, S. 5627 – 5633DOI (Open Access)
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The benzylperoxyl radical as a source of hydroxyl and phenyl radicalsIn: Chemistry - A European Journal, Jg. 20, 2014, Nr. 40, S. 12917 – 12923
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The highly reactive benzhydryl cation isolated and stabilized in water iceIn: Journal of the American Chemical Society: JACS, Jg. 136, 2014, Nr. 44, S. 15625 – 15630
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Conformation and dynamics of a cyclic disulfide-bridged peptide : Effects of temperature and solventIn: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry, Jg. 117, 2013, Nr. 13, S. 3560 – 3570
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Electron density deformations provide new insights into the spectral shift of rhodopsinsIn: Journal of Computational Chemistry, Jg. 34, 2013, Nr. 28, S. 2460 – 2471
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Enzyme-directed mutasynthesis : A combined experimental and theoretical approach to substrate recognition of a polyketide synthaseIn: ACS Chemical Biology, Jg. 8, 2013, Nr. 2, S. 443 – 450
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Interactions of aromatic radicals with waterIn: ChemPhysChem, Jg. 14, 2013, Nr. 4, S. 805 – 811
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Molecular Tweezers with Varying Anions : A Comparative StudyIn: The Journal of Organic Chemistry, Jg. 78, 2013, Nr. 13, S. 6721 – 6734
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Molecular tweezers modulate 14-3-3 protein–protein interactionsIn: Nature Chemistry, Jg. 5, 2013, Nr. 3, S. 234 – 239
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Photochemistry of N-methylformamide : Matrix isolation and nonadiabatic dynamicsIn: ChemPhysChem, Jg. 14, 2013, Nr. 4, S. 827 – 836
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Stereochemistry rules : A single stereocenter changes the conformation of a cyclic tetrapeptideIn: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry, Jg. 117, 2013, Nr. 37, S. 10785 – 10791
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Competition between H···π and H···O interactions in furan heterodimersIn: Journal of Physical Chemistry A: Molecules, Clusters, and Aerosols, Jg. 116, 2012, Nr. 23, S. 5689 – 5697
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The Phenoxyl Radical–Water Complex : A Matrix Isolation and Computational StudyIn: Journal of the American Chemical Society: JACS, Jg. 134, 2012, Nr. 19, S. 8222 – 8230
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Understanding rhodopsin mutations linked to the Retinitis pigmentosa disease : A QM/MM and DFT/MRCI studyIn: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry, Jg. 116, 2012, Nr. 3, S. 1060 – 1076
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Acetylene⋅⋅⋅Furan Trimer Formation at 0.37 K as a Model for Ultracold Aggregation of Non- and Weakly Polar MoleculesIn: ChemPhysChem, Jg. 12, 2011, Nr. 10, S. 2009 – 2017
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Photochemistry and reactivity of the phenyl radical-water system : A matrix isolation and computational studyIn: Chemistry - A European Journal, Jg. 16, 2010, Nr. 29, S. 8679 – 8689
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QM/MM study of the absorption spectra of DsRed.M1 chromophoresIn: Journal of Computational Chemistry, Jg. 31, 2010, Nr. 8, S. 1603 – 1612
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Quantum Refinement of Protein Structures : Implementation and Application to the Red Fluorescent Protein DsRed.M1In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry, Jg. 114, 2010, Nr. 46, S. 15413 – 15423
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Borazine and Benzene Homo- and HeterodimersIn: Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment & General Theory, Jg. 113, 2009, Nr. 14, S. 3353 – 3359
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Interaction and Reaction of the Phenyl Radical with Water : A Source of OH RadicalsIn: Angewandte Chemie International Edition, Jg. 48, 2009, Nr. 26, S. 4804 – 4807
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Matrix isolation and Ab initio study of the noncovalent complexes between formamide and acetyleneIn: Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment & General Theory, Jg. 113, 2009, Nr. 6, S. 1086 – 1095
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QM/MM study of the monomeric red fluorescent protein DsRed.M1In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry, Jg. 113, 2009, Nr. 52, S. 16622 – 16631
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Ab initio and matrix isolation study of the acetylene-furan dimerIn: Chemical Physics, Jg. 343, 2008, Nr. 2-3, S. 168 – 185
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High resolution IR spectroscopy of acetylene-furan in ultracold helium nanodropletsIn: The Journal of Chemical Physics (JCP), Jg. 129, 2008, Nr. 11, 114307DOI (Open Access)
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Interactions between simple radicals and waterIn: Chemical Physics, Jg. 353, 2008, Nr. 1-3, S. 193 – 201
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Formamide Dimers : A Computational and Matrix Isolation StudyIn: Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment & General Theory, Jg. 111, 2007, Nr. 42, S. 10552 – 10561
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Computational Study of Noncovalent Complexes between Formamide and Formic AcidIn: Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment & General Theory, Jg. 110, 2006, Nr. 46, S. 12613 – 12622
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Furan - Formic acid dimers : An ab initio and matrix isolation studyIn: Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment & General Theory, Jg. 110, 2006, Nr. 51, S. 13775 – 13785
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Análisis de semejanza en las asociaciones moleculares de la amilosa con algunos compuestos organolépticosIn: Revista Cubana de Fisica, Jg. 22, 2005, Nr. 2, S. 73 – 80Online Volltext (Open Access)
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Noncovalent Complexes between Dimethyl Ether and Formic Acid : An Ab Initio and Matrix Isolation StudyIn: ChemPhysChem, Jg. 6, 2005, Nr. 4, S. 618 – 624
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1:2 Formic Acid/Acetylene Complexes : Ab Initio and Matrix Isolation Studies of Weakly Interacting SystemsIn: Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment & General Theory, Jg. 108, 2004, Nr. 52, S. 11846 – 11854
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Matrix Isolation Infrared and ab Initio Study of Formic Acid−Acetylene Interaction : Example of H···π and C−H···O InteractionIn: Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment & General Theory, Jg. 107, 2003, Nr. 35, S. 6850 – 6858
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Calculo de la Energia de Asociación en Clústers de Acetona Mediante la Aproximación de la Hipersuperficie de Múltiples MinimosIn: Revista Cubana de Física, Jg. 17, 2000, Nr. 1-2, S. 41 – 46Online Volltext (Open Access)
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Heavy-Atom Tunneling in Semibullvalenes : How Driving Force, Substituents, and Environment Influence the Tunneling RatesIn: Chemistry - A European Journal. Hoboken: Wiley-Blackwell - STM, Jg. 26, 2020, Nr. 46, S. 10366DOI (Open Access)
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Computational approach to the regulation of protein-protein interactions by molecular tweezersIn: ACS National Meeting / American Chemical Society. Washington: American Chemical Society (ACS), Jg. 256, 2018, S. 491
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Dynamics simulations of reactive intermediates : From cryogenic matrices to co-solventsIn: ACS National Meeting / American Chemical Society. Washington: American Chemical Society (ACS), Jg. 256, 2018, S. 187