Understanding clathrate hydrate formation and stability is an urgent issue due to their environmental importance. However, a fundamental understanding of the molecular processes...

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Prediction of molecular interaction of Phosphodiesterase 10A inhibition by natural compounds: insights from structure-based screening and molecular dynamics simulations

PDE10A抑制剂虚拟筛选

分子动力学模拟

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

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

Simulations of nisin dimerization and membrane pore formation

分子动力学模拟

抗菌肽膜孔形成

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

Martini 2 and Martini 3 simulations of DOPE/DOPC mixtures

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