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Our research focusses on understanding, predicting, and modulating biomolecular interactions from an atomistic perspective.

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Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 20
Issue DateTitleAuthor(s)
2023-09Regulation of STING activity in DNA sensing by ISG15 modificationGertzen, Christoph; Kaiser, Jesko; Münk, Carsten; Gohlke, Holger
2023-01Supporting Information for "Enzyme adaptation to habitat thermal legacy shapes the thermal plasticity of marine microbiomes"Nutschel, Christina; Pfleger, Christopher; Dittrich, Jonas; Gohlke, Holger
2023-01Supporting Information for "Loading and Co-Solvent-Triggered Release of Okanin, a C4 Plant Key Enzyme Inhibitor, into/from Functional Microgels"Dittrich, Jonas; Gohlke, Holger
2022-12TopEnzyme: A framework and database for structural coverage of the functional enzyme spaceKarel, van der Weg; Holger, Gohlke
2022-09-19Movie for: The architecture of the 10-23 DNAzyme and its implications for DNA-mediated catalysisChristoph, Gertzen; Jan, Borggräfe; Aldino, Viegas; Manuel, Etzkorn; Holger, Gohlke
2022-09-01Millisecond-long sampling for a comprehensive energetic evaluation of aqueous ionic liquid effects on amino acid interactionsEl Harrar, Till; Gohlke, Holger
2022Uncoupling of voltage- and ligand-induced activation in HCN2 channels by glycine inserts v2Sezin, Yüksel; Bonus, Michele; Pfleger, Christopher; Gohlke, Holger; Benndorf, Klaus; Kusch, Jana
2022Structural and mechanistic insights into bacterial phospholipase A involved in membrane phospholipid degradation and virulenceStephan, Schott-Verdugo; Holger, Gohlke; Renu, Batra-Safferling; Karl-Erich, Jaeger; Filip, Kovacic
2022Uncoupling of voltage- and ligand-induced activation in HCN2 channels by glycine insertsSezin, Yüksel; Michele, Bonus; Christopher, Pfleger; Holger, Gohlke; Klaus, Benndorf; Jana, Kusch
2021-08-05Functional and structural characterization of interactions between opposite subunits in HCN pacemaker channelsKondapuram, Mahesh; Frieg, Benedikt; Yüksel, Sezin; Schwabe, Tina; Sattler, Christian; Lelle, Marco; Schweinitz, Andrea; Schmauder, Ralf; Benndorf, Klaus; Gohlke, Holger; Kusch, Jana
2021-07-12Simulation data for "Substrate access mechanism in a novel membrane-bound phospholipase A of Pseudomonas aeruginosa concordant with specificity and regioselectivity"Ahmad, Sabahuddin; Strunk, Christoph; Schott-Verdugo, Stephan; Jaeger, Karl-Erich; Kovacic, Filip; Gohlke, Holger
2021-07-13Supporting Information for "F/G-Region Rigidity is Inversely Correlated to Substrate Promiscuity of Human CYP Isoforms Involved in Metabolism"Becker, Daniel; Bharatam, Prasad; Gohlke, Holger
2021-07-07TopProperty datasetMulnaes, Daniel; Schott-Verdugo, Stephan; Koenig, Filip; Gohlke, Holger
2021-05-01TopDomain dataset v2.0Mulnaes, Daniel; Golchin, Pegah; Koenig, Filip; Gohlke, Holger
2021-03-17Supporting Information for "Molecular modeling and simulations of DNA and RNA: DNAzyme as a model system"Gertzen, Christoph; Gohlke, Holger
2021-03-18Structural models of SFV Bet protein as SI for "Foamy Viruses, Bet, and APOBEC3 Restriction"Vasudevan, Ananda; Becker, Daniel; Luedde, Tom; Gohlke, Holger; Muenk, Carsten
2021TopDomain datasetMulnaes, Daniel; Golchin, Pegah; Koenig, Filip; Gohlke, Holger
2020Sequence alignments of alpha and beta spectrinWäschenbach, Lucas; Gohlke, Holger
2020-02Molecular dynamics simulations data and analysis scripts used for Grx7 in the publication "Quantitative assessment of the determinant structural differences between redox-active and inactive glutaredoxins"Wäschenbach, Lucas; Gohlke, Holger
2020-02Molecular dynamics simulations data and analysis scripts used for Grx5 in the publication "Quantitative assessment of the determinant structural differences between redox-active and inactive glutaredoxins"Wäschenbach, Lucas; Gohlke, Holger
Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 20