Structure Ensemble of the First Two RNA Recognition Motif Domains of a Poly(U) Binding Protein from Paramagnetic Relaxation Enhancement and Molecular Simulation Guan

Figshare2016-04-21 更新10

Simulations of nisin dimerization and membrane pore formation

分子动力学模拟

抗菌肽膜孔形成

Simulation trajectory files for nisin dimer and octamer simulations. Instructions for loading on VMD; Launch VMD cd to folder with dcd files File -> load visualization state if no visualizatio

NIAID Data Ecosystem00

File S1 - Cross Dimerization of Amyloid- β and αSynuclein Proteins in Aqueous Environment: A Molecular Dynamics Simulations Study

分子动力学模拟

Aβ-αSynuclein相互作用

Supporting files. Figure S1, Evolution of the a) total inter-peptide interaction strength, and b) inter peptide distance over 150 ns for the dimerising trajectories. Figure S2, The backbone mean squar

NIAID Data Ecosystem30

Molecular Dynamics Insights into the Structural and Water Transport Properties of a Forward Osmosis Polyamide Thin-Film Nanocomposite Membrane Modified with Graphene Quantum Dots

正向渗透膜

分子动力学模拟

An approach combining molecular dynamics (MD) simulations and laboratory experiments was applied to provide new theoretical insights into the chemical structure of polyamide (PA) thin-film composite (

Figshare2020-05-15 更新00

Hydrogen bond occupancies within the trajectory of 100–200 ns.

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