Atomistic and coarse-grained modeling of polyethyleneimine
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DOI: 10.1016/j.cplett.2018.10.071
Abstract: Abstract As a widely used non-viral gene delivery vector, polyethyleneimine (PEI) was investigated at all-atom (AA) and coarse-grained (CG) levels. We used our recently published AA (CHARMM) force-field for PEI in extensive molecular dynamics (MD)… read more here.
Keywords: atomistic coarse; grained modeling; polyethyleneimine; modeling polyethyleneimine ... See more keywords
Atomistic and Coarse Grain Simulations of the Cell Envelope of Gram-Negative Bacteria: What Have We Learned?
Sign Up to like & getrecommendations! Published in 2019 at "Accounts of chemical research"
DOI: 10.1021/acs.accounts.8b00377
Abstract: Bacterial membranes, and those of Gram-negative bacteria in particular, are some of the most biochemically diverse membranes known. They incorporate a wide range of lipid types and proteins of varying sizes, architectures, and functions. While… read more here.
Keywords: atomistic coarse; gram negative; outer membrane; coarse grain ... See more keywords