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

PDB: 1OAY, Crystal structure of antibody SPE7, a monoclonal immunoglobulin E (IgE) raised against a 2,4-dinitrophenyl (DNP) hapten (313K, 40°C, 100 ns)

抗体相关结构解析

分子动力学模拟

PDB: 1OAY, Crystal structure of antibody SPE7, a monoclonal immunoglobulin E (IgE) raised against a 2,4-dinitrophenyl (DNP) hapten (313K, 40°C, 100 ns). Includes PDB files obtained every 50 ns.

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

The ratio of down/up proline pucker in the unbound versus bound simulations.

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