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

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

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

PKC Alpha C2 domain interacting with POPC/POPS membranes,

分子动力学模拟

蛋白质-膜相互作用

Simulations of a single copy of the PKC alpha C2 domain (PDB:1DSY) with a lipid membrane consisting of 40 POPS and 160 POPC molecules. The system is solvated by 20000 water molecules (100 per lipid),

NIAID Data Ecosystem10

POPC bilayer at 310K with the CHARMM36-NBFIX force field, 111 mM NaCl

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