本数据集为论文《Structure and mechanism of the mitochondrial calcium transporter NCLX》配套的分子动力学模拟数据，包含1个压缩文件，无分层目录结构，未区分训练/测试、数据/标签或原始/处理数据。 论文“Structure and mechanism of the mitochondrial calcium transporter NCLX”
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
MM/GBSA binding free energy composition. Major contributions are highlighted in bold text. MM contributions: Molecular mechanics contributions represent the internal and intermolecular energies of the
