本数据集为论文《Molecular origin of the two-step mechanism of gellan aggregation》配套的原始数据，聚焦结冷胶聚集两步机制的分子起源研究。数据集仅包含一个压缩文件，未进行训练/测试、数据/标签或原始/处理数据的拆分，可用于结冷胶聚集过程的分子机制分析。 论文《Molecular origin of the two-step mechanism of gellan aggregation》
DLPC (C12:0 PC) bilayer with 80 lipids in one leaflet and 70 lipids in the opposite leaflet. The bilayer was simulated in all-atom representation with NAMD and the CHARMM36 lipid force field for 250 n
Structure Ensemble of the First Two RNA Recognition Motif Domains of a Poly(U) Binding Protein from Paramagnetic Relaxation Enhancement and Molecular Simulation Guan
Neuraminidase (NA) of influenza is a key target for virus infection control and the recently discovered open 150-cavity in group-1 NA provides new opportunity for novel inhibitors design. In this stud
The pure DPPC membrane (36 lipids in each leaflet) simulations with the Charmm-Drude polarizable force field. Initial structure has been generated via Charmm-Gui on 01.03.2021. Before the production r
