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Trajectories dataTrajectories of WW domain
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2020-04-23
相关数据集
DataSheet1_Caging Polycations: Effect of Increasing Confinement on the Modes of Interaction of Spermidine3+ With DNA Double Helices.PDF
Polyamines have important roles in the modulation of the cellular function and are ubiquitous in cells. The polyamines putrescine2+, spermidine3+, and spermine4+ represent the most abundant organic co
NIAID Data Ecosystem10
Input files, parameter files, topology files for pure gas, gas-water, and lipid nanobubble systems(parameters); scripts for generating lipid nanobubbles (AA-LNB. py).
Input files, parameter files, topology files for pure gas, gas-water, and lipid nanobubble systems(parameters); scripts for generating lipid nanobubbles (AA-LNB. py).
Zenodo2024-06-10 更新00
MANF simulation with amber99SB-ILDN (5 replicas)
MD simulations of MANF with amber99SB-ILDN force field. Five replicas from different starting structures from taken from RCSB PDB: 2RQY (model 1, 2, 4, 6 and 8). Simulations were run wtih 20 mM NaCl a
Zenodo2024-08-07 更新00
Dataset for: Molecular Dynamics study of the Recognition of the Nucleic Acid Aptamer to ATP
Files with the initial aptamer structures (wt and three mutant forms) and their complexes with ATP after docking, used in the MD simulations, along with MD simulation trajectories and meta-eABF simula
Zenodo2020-07-31 更新00
Raw data for: Sublytic gasdermin-D pores captured in atomistic molecular simulations
This archive contains data and code related to "Sublytic gasdermin-D pores captured in atomistic molecular simulations" by Schaefer & Hummer. Included are molecular dynamics parameter files, initi
Zenodo2022-11-16 更新00
