Extracting Conformational Ensembles of Small Molecules from Molecular Dynamics Simulations: Ampicillin as a Test Case. Malloci, G., Serra, G., Bosin, A., & Vargiu, A. V. Computation, 4(1):5, 2016.
Extracting Conformational Ensembles of Small Molecules from Molecular Dynamics Simulations: Ampicillin as a Test Case [link]Paper  doi  bibtex   
@article{DBLP:journals/computation/MallociSBV16,
  author    = {Giuliano Malloci and
               Giovanni Serra and
               Andrea Bosin and
               Attilio Vittorio Vargiu},
  title     = {Extracting Conformational Ensembles of Small Molecules from Molecular
               Dynamics Simulations: Ampicillin as a Test Case},
  journal   = {Computation},
  volume    = {4},
  number    = {1},
  pages     = {5},
  year      = {2016},
  url       = {https://doi.org/10.3390/computation4010005},
  doi       = {10.3390/computation4010005},
  timestamp = {Tue, 14 Aug 2018 01:00:00 +0200},
  biburl    = {https://dblp.org/rec/journals/computation/MallociSBV16.bib},
  bibsource = {dblp computer science bibliography, https://dblp.org}
}
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