SG pore condensation example LAMMPS files

B2FIND2026-04-11 收录

分子动力学模拟

液滴聚结

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https://b2find.eudat.eu/dataset/77195612-3d31-5b47-b8ec-72e6db3b41a1 数据链接链接失效反馈

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Input files to reproduce simulations of some example trajectories of a damaged vesicle undergoing plugging by LLPS droplet condensation at the site of the pore. Three folders...

Data for: Synergetic Adsorption of Polymers on Montmorillonite: Insights from Molecular Dynamics Simulations

分子动力学模拟

聚合物吸附

Raw data generated by GROMACS.

NIAID Data Ecosystem50

Pub1-PRE experimental data.zip

蛋白质结构解析

分子动力学模拟

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

SG pore condensation example LAMMPS files

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