EntF*-D12
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资源简介：
molecular dynamics simulation of the EntF* peptide, residue 12 in D form-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.mdptime step 2 fs, temperature = 298 K, pressure = 1 bar-1 microsecond trajectory dry.xtc, dry.groframe rate 1 ps, water and ions removed, box centered on peptide-analysis files: radius of gyration, solvent accessible surface area (hydrophilic (backbone + hydrophilic side chains), hydrophobic (hydrophobic side chains)) <br>
创建时间：
2022-08-13
