% IMPORTANT: The following is UTF-8 encoded.  This means that in the presence
% of non-ASCII characters, it will not work with BibTeX 0.99 or older.
% Instead, you should use an up-to-date BibTeX implementation like “bibtex8” or
% “biber”.

@ARTICLE{SchottVerdugo:863299,
      author       = {Schott-Verdugo, Stephan and Gohlke, Holger},
      title        = {{PACKMOL}-{M}emgen: {A} {S}imple-{T}o-{U}se, {G}eneralized
                      {W}orkflow for {M}embrane-{P}rotein–{L}ipid-{B}ilayer
                      {S}ystem {B}uilding},
      journal      = {Journal of chemical information and modeling},
      volume       = {59},
      number       = {6},
      issn         = {1549-960X},
      address      = {Washington, DC},
      publisher    = {American Chemical Society64160},
      reportid     = {FZJ-2019-03386},
      pages        = {2522-2528},
      year         = {2019},
      abstract     = {We present PACKMOL-Memgen, a simple-to-use, generalized
                      workflow for automated building of
                      membrane-protein–lipid-bilayer systems based on
                      open-source tools including Packmol, memembed, pdbremix, and
                      AmberTools. Compared with web-interface-based related tools,
                      PACKMOL-Memgen allows setup of multiple configurations of a
                      system in a user-friendly and efficient manner within
                      minutes. The generated systems are well-packed and thus
                      well-suited as starting configurations in MD simulations
                      under periodic boundary conditions, requiring only moderate
                      equilibration times. PACKMOL-Memgen is distributed with
                      AmberTools and runs on most computing platforms, and its
                      output can also be used for CHARMM or adapted to other
                      molecular-simulation packages.},
      cin          = {NIC / JSC / ICS-6},
      ddc          = {540},
      cid          = {I:(DE-Juel1)NIC-20090406 / I:(DE-Juel1)JSC-20090406 /
                      I:(DE-Juel1)ICS-6-20110106},
      pnm          = {511 - Computational Science and Mathematical Methods
                      (POF3-511) / Forschergruppe Gohlke $(hkf7_20170501)$ /
                      Molecular mechanisms underlying PlbF activation/deactivation
                      via dynamic association/dissociation $(hdd18_20170501)$},
      pid          = {G:(DE-HGF)POF3-511 / $G:(DE-Juel1)hkf7_20170501$ /
                      $G:(DE-Juel1)hdd18_20170501$},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:31120747},
      UT           = {WOS:000473116500003},
      doi          = {10.1021/acs.jcim.9b00269},
      url          = {https://juser.fz-juelich.de/record/863299},
}