1 to 5 of 5 Results
Aug 2, 2024
Joseph, David; Griesinger, Christian, 2024, "Library of optimal control pulse sequences for biomolecular NMR spectroscopy", https://doi.org/10.17617/3.CBOUXH, Edmond, V1
This data set is part of the publication Library of optimal control pulse sequences for biomolecular NMR spectroscopy (manuscript in preparation). by D. Joseph and C. Griesinger. All reported pulse sequence codes and the necessary parameter files and additional OC pulse shapes ar... |
Oct 7, 2023
Anggara, Kelvin, 2023, "STM images and DFT structures of glycoconjugates", https://doi.org/10.17617/3.3F5JPU, Edmond, V2
Raw STM images of glycans and glycoconjugates were given in the SXM format outputted directly from the Nanonis control software, which can be opened using WSXM or Gwyddion. Computed structures were given in XYZ format, which can be opened by common molecular modeling software suc... |
Aug 25, 2023
Dimova, Rumiana, 2023, "Photomanipulation of minimal synthetic cells: area increase, softening and interleaflet coupling of membrane models doped with azobenzene-lipid photoswitches", https://doi.org/10.17617/3.CWOZQO, Edmond, V1
Supporting data (simulation files, movies) for Aleksanyan et al. (2023) Advanced Science |
Jun 7, 2023
Pantazis, Dimitrios; Sirohiwal, Abhishek, 2022, "Water Channels in Fully Hydrated Cyanobacterial Photosystem II", https://doi.org/10.17617/3.B2AKNU, Edmond, V2
Selected structures (in the Protein Data Bank format) from molecular dynamics simulations depicting water channels within fully hydrated Photosystem II. All structures are based on the 3WU2 PSII model, but with fully completed/remodeled protein sequence and cofactor assignment. T... |
May 31, 2022
Anggara, Kelvin, 2022, "CytochromeC_DFT", https://doi.org/10.17617/3.VJ9ZIM, Edmond, V1
XYZ structures and trajectories for Cytochrome C modeling at the level of Density Functional Theory. |