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Katherine E Shaw

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The Journal of Physical Chemistry. B|October 24, 2014
Combined quantum mechanics/molecular mechanics (QM/MM) simulations for protein-ligand complexes: free energies of binding of water molecules in influenza neuraminidaseChristopher J Woods, Katherine E Shaw, Adrian J Mulholland
Journal of Chemical Theory and Computation|November 27, 2015
Lennard-Jones Parameters for B3LYP/CHARMM27 QM/MM Modeling of Nucleic Acid BasesUlla Pentikäinen, Katherine E Shaw, Kittusamy Senthilkumar, et al.
Journal of the Royal Society, Interface|July 10, 2008
Biomolecular simulation and modelling: status, progress and prospectsMarc W van der Kamp, Katherine E Shaw, Christopher J Woods, et al.
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Showing results (1-10 of 3) with videos related to

Sort By:
Pageof 1
The Journal of Physical Chemistry. B|October 24, 2014
Combined quantum mechanics/molecular mechanics (QM/MM) simulations for protein-ligand complexes: free energies of binding of water molecules in influenza neuraminidaseChristopher J Woods, Katherine E Shaw, Adrian J Mulholland
Journal of Chemical Theory and Computation|November 27, 2015
Lennard-Jones Parameters for B3LYP/CHARMM27 QM/MM Modeling of Nucleic Acid BasesUlla Pentikäinen, Katherine E Shaw, Kittusamy Senthilkumar, et al.
Journal of the Royal Society, Interface|July 10, 2008
Biomolecular simulation and modelling: status, progress and prospectsMarc W van der Kamp, Katherine E Shaw, Christopher J Woods, et al.
Pageof 1