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Molecular dynamics simulation or structure refinement of proteins: are solvent molecules required? A case study using hen lysozyme.
Pechlaner, Maria; van Gunsteren, Wilfred F; Hansen, Niels; Smith, Lorna J.
Affiliation
  • Pechlaner M; Laboratory of Physical Chemistry, Swiss Federal Institute of Technology, ETH, 8093, Zurich, Switzerland. maria.pechlaner@chem.ethz.ch.
  • van Gunsteren WF; Laboratory of Physical Chemistry, Swiss Federal Institute of Technology, ETH, 8093, Zurich, Switzerland.
  • Hansen N; Institute of Thermodynamics and Thermal Process Engineering, University of Stuttgart, 70569, Stuttgart, Germany.
  • Smith LJ; Inorganic Chemistry Laboratory, Department of Chemistry, University of Oxford, South Parks Road, Oxford, OX1 3QR, UK.
Eur Biophys J ; 51(3): 265-282, 2022 Apr.
Article in En | MEDLINE | ID: mdl-35303138
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Muramidase / Molecular Dynamics Simulation Language: En Journal: Eur Biophys J Journal subject: BIOFISICA Year: 2022 Type: Article Affiliation country: Switzerland
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Muramidase / Molecular Dynamics Simulation Language: En Journal: Eur Biophys J Journal subject: BIOFISICA Year: 2022 Type: Article Affiliation country: Switzerland