EntF*-L
收藏DataCite Commons2022-08-13 更新2025-04-17 收录
下载链接：
https://uvaauas.figshare.com/articles/dataset/EntF_-L/20485017/1
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资源简介：
molecular dynamics simulation of the EntF* peptide, all residues in L form <br> -starting coordinates posre.gro: energy minimized and water+ions equilibrated around peptide -topology topol.top: force field AMBER99SB-ILDB, TIP3P water, protonation states at pH = 7, [NaCl] = 50 mM, disulfide bond generated between residues 14 and 6 -md settings md.mdp time step 2 fs, temperature = 298 K, pressure = 1 bar <br> -1 microsecond trajectory dry.xtc, dry.gro frame rate 1 ps, water and ions removed, box centered on peptide <br> -analysis files: radius of gyration, solvent accessible surface area (all, hydrophilic parts (backbone + hydrophilic side chains), hydrophobic parts (hydrophobic side chains)) <br> <br>
提供机构：
University of Amsterdam / Amsterdam University of Applied Sciences
创建时间：
2022-08-13
