Early Aggregation Mechanism of SOD128-38 Based on Force Field Parameter of 5-cyano-Tryptophan
收藏NIAID Data Ecosystem2026-05-01 收录
数据链接：
官方服务：
资源简介：
Datasets of MD trajectories for MSM
应用场景：
创建时间：
2024-02-21
相关数据集
Pub1-PRE experimental data.zip
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
Crystallization of clathrate hydrates from amorphous THF-water solutions
Understanding clathrate hydrate formation and stability is an urgent issue due to their environmental importance. However, a fundamental understanding of the molecular processes...
B2FIND00
Prediction of molecular interaction of Phosphodiesterase 10A inhibition by natural compounds: insights from structure-based screening and molecular dynamics simulations
Phosphodiesterase 10 A (PDE10A) is an enzyme that regulates cyclic adenosine monophosphate (cAMP) and cyclic guanosine monophosphate (cGMP) levels in the brain, particularly in the striatum, which pla
NIAID Data Ecosystem00
Molecular Dynamics Insights into the Structural and Water Transport Properties of a Forward Osmosis Polyamide Thin-Film Nanocomposite Membrane Modified with Graphene Quantum Dots
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
Simulations of nisin dimerization and membrane pore formation
Simulation trajectory files for nisin dimer and octamer simulations. Instructions for loading on VMD; Launch VMD cd to folder with dcd files File -> load visualization state if no visualizatio
NIAID Data Ecosystem00
