Polymyxins slow down lateral diffusion of proteins and lipopolysaccharide in the E. coli outer membrane (dataset)
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Simulation input files included: MD simulation parameters (*mdp files) Topology files (*.top files) Coordinate files (*.gro files) - initial coordinates for each simulation system and final coordinates for each simulation replicate. Water/solvent coordinates are not included to minimize file sizes. The number of solvent molecules simulated in each system is mentioned in the *.top files. ITP files are provided as a zip file (itps.zip)
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Zenodo创建时间：
2025-05-27
