Binding Region of Alanopine Dehydrogenase Predicted by Unbiased Molecular Dynamics Simulations of Ligand Diffusion

Holger Gohlke, Ulrike Hergert, Tatu Meyer, Daniel Mulnaes, Manfred K. Grieshaber, Sander H. J. Smits, Lutz Schmitt. Binding Region of Alanopine Dehydrogenase Predicted by Unbiased Molecular Dynamics Simulations of Ligand Diffusion. Journal of Chemical Information and Computer Sciences, 53(10):2493-2498, 2013. [doi]

@article{GohlkeHMMGSS13,
  title = {Binding Region of Alanopine Dehydrogenase Predicted by Unbiased Molecular Dynamics Simulations of Ligand Diffusion},
  author = {Holger Gohlke and Ulrike Hergert and Tatu Meyer and Daniel Mulnaes and Manfred K. Grieshaber and Sander H. J. Smits and Lutz Schmitt},
  year = {2013},
  doi = {10.1021/ci400370y},
  url = {http://dx.doi.org/10.1021/ci400370y},
  researchr = {https://researchr.org/publication/GohlkeHMMGSS13},
  cites = {0},
  citedby = {0},
  journal = {Journal of Chemical Information and Computer Sciences},
  volume = {53},
  number = {10},
  pages = {2493-2498},
}