hMff_micelle_50SDS_CHARMM_310K_Na_Neut_OPC_23500water_replica3
收藏NIAID Data Ecosystem2026-05-01 收录
数据链接：
官方服务：
资源简介：
hMff_micelle_50SDS_CHARMM_310K_Na_Neut_OPC_23500water_replica3
应用场景：
创建时间：
2024-01-04
相关数据集
Molecular dynamics simulation input files: Dynamics of amphiphilic poly($\varepsilon$-caprolactone) micelles with doxorubicin and transition temperature predictions using all-atom molecular dynamics simulation
The files uploaded contain the input files for simulations:1) P10_Solv: Input files for drug-free micelles.2) Micelle_Solv: Input files for drug-loaded micelles.
Zenodo2024-08-06 更新40
GWALP_dimer_micelle_70SDS_CHARMM_310K_Na_Neut_OPC_replica4_ordered
GWALP_dimer_micelle_70SDS_CHARMM_310K_Na_Neut_OPC_replica4_ordered
Zenodo2024-01-04 更新40
Empty micelle - 60 SDS - Na neutralized - CHARMM36m - 293K - OPC water model - replica 0
Empty micelle simulation to investigate the effect of water model and peptide on SRD.
Zenodo2023-04-26 更新20
Data for Fig 3A (bottom).
Each value in the .vtk data file corresponds to the number of NKG2D in each chamber of the simulation box for our Model 2 at t = 2 min, post NKG2D stimulation. “DIMENSIONS” and “POINT DATA” in the hea
NIAID Data Ecosystem40
Charmm36-Ua Pope Simulations (Versions 1 And 2) 310 K (Note: Hexagonal Membrane And Pope Is Called Peua)
Two CHARMM36-UA POPE bilayer simulations performed using GROMACS 5.0.6 for 200 ns with different starting velocities. Simulations were performed with the standard CHARMM36 settings: a 1.2 nm cut-off w
Zenodo2020-09-20 更新30
