Dataset submission 1 of 5. Please see the parent dataset for more details:Â https://doi.org/10.5061/dryad.ksn02v7dj, Dataset submission 1 of 5. Please see the parent dataset or published manuscript fo

DataONE2024-08-30 更新40

Functional Rotation of the Transporter AcrB: Insights into Drug Extrusion from Simulations

抗生素耐药机制

分子动力学模拟

The tripartite complex AcrAB-TolC is the major efflux system in Escherichia coli. It extrudes a wide spectrum of noxious compounds out of the bacterium, including many antibiotics. Its active part, th

NIAID Data Ecosystem20

Publicly available data for “Solvation Dynamics and the Nature of Reaction Barriers and Ion-Pair Intermediates in Carbocation Reactions”

分子动力学模拟

化学反应机理

These files contain the necessary bash and AWK scripts to execute and analyze progdynONIOM molecular dynamics trajectories, helpful documentation for use of this program, as well as geometric and ener

Harvard Dataverse2020-06-08 更新10

Dataset 4 of 5 from: Atomistic mechanisms of the regulation of small conductance Ca 2+ -activated K + channel (SK2) by PIP2

资源简介：

Dataset 4 of 5 from: Atomistic mechanisms of the regulation of small conductance Ca 2+ -activated K + channel (SK2) by PIP2

资源简介：

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