1 to 10 of 54 Results
Dec 7, 2023
Riedmiller, Kai; Reiser, Patrick; Bobkova, Elizaveta; Maltsev, Kiril; Gryn’ova, Ganna; Friederich, Pascal; Gräter, Frauke, 2023, "Substituting density functional theory in reaction barrier calculations for hydrogen atom transfer in proteins [data]", https://doi.org/10.11588/data/TGDD4Y, heiDATA, V2
Hydrogen atom transfer (HAT) reactions are important in many biological systems. As these reactions are hard to observe experimentally, it is of high interest to shed light on them using simulations. Here, we present a machine learning model based on graph neural networks for the... |
Dec 4, 2023
Roessner Rita; Michelarakis, Nicholas; Gräter, Frauke; Aponte-Santamaría, Camilo, 2023, "Mechanical forces control the valency of the malaria adhesin VAR2CSA by exposing cryptic glycan binding sites [data]", https://doi.org/10.11588/data/EZHMDU, heiDATA, V1
Plasmodium falciparum (Pf) is responsible for the most lethal form of malaria. VAR2CSA is an adhesin protein expressed by this parasite at the membrane of infected erythrocytes for attachment to the placenta, leading to pregnancy-associated malaria. VAR2CSA is a large 355 kDa mul... |
Dec 4, 2023 -
Mechanical forces control the valency of the malaria adhesin VAR2CSA by exposing cryptic glycan binding sites [data]
Plain Text - 885 B -
MD5: 3b5267a8930286b55a1e749b5787441f
Main README |
Dec 4, 2023 -
Mechanical forces control the valency of the malaria adhesin VAR2CSA by exposing cryptic glycan binding sites [data]
Plain Text - 1.5 KB -
MD5: 47d3ea70c21a3552859c36c2a3c8e5a2
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Dec 4, 2023 -
Mechanical forces control the valency of the malaria adhesin VAR2CSA by exposing cryptic glycan binding sites [data]
Plain Text - 983 B -
MD5: 4a75d181827b73611b642446d7f06c48
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Dec 4, 2023 -
Mechanical forces control the valency of the malaria adhesin VAR2CSA by exposing cryptic glycan binding sites [data]
Plain Text - 938 B -
MD5: bbe7ccdb3a6495b0e85ff23c5aaff546
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Dec 4, 2023 -
Mechanical forces control the valency of the malaria adhesin VAR2CSA by exposing cryptic glycan binding sites [data]
Gzip Archive - 7.2 GB -
MD5: 472b21be96959dece9179dcc1efb2509
Compressed file with all relevant input and output simulation files, as well as code to setup the simulations and analyze the results. |
Jun 1, 2023
Gräter, Frauke; Franz, Florian; Winograd-Katz, Sabina; Tapia-Rojo, Rafael; Boujemaa-Paterski, Rajaa; Li, Wenhong; Unger, Tamar; Albeck, Shira; Aponte-Santamaria, Camilo; Garcia-Manyes, Sergi; Medalia, Ohad; Geiger, Benny, 2023, "Allosteric Activation of Vinculin by Talin [data]", https://doi.org/10.11588/data/WZDKT6, heiDATA, V1, UNF:6:32j0OWUdxRAbsyCMzwdFcQ== [fileUNF]
The talin-vinculin axis is a key mechanosensing component of cellular focal adhesions. How talin and vinculin respond to forces and regulate one another remains unclear. By combining single molecule magnetic tweezer experiments, Molecular Dynamics simulations, actin bundling assa... |
Jun 1, 2023 -
Allosteric Activation of Vinculin by Talin [data]
Tabular Data - 3.9 MB - 7 Variables, 74517 Observations - UNF:6:uRWioNnEVLhiZbugeBo9Ug==
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Jun 1, 2023 -
Allosteric Activation of Vinculin by Talin [data]
MS Excel Spreadsheet - 23.2 MB -
MD5: 3450f6c48daa6969234ec202826bb772
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