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Journal of Chemical Theory and Computation
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November 27, 2015
Multicore Parallelization of Kohn-Sham Theory
Christopher J Woods, Philip Brown, Frederick R Manby
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 neuraminidase
Christopher J Woods, Katherine E Shaw, Adrian J Mulholland
The Journal of Chemical Physics
|
January 15, 2008
An efficient method for the calculation of quantum mechanics/molecular mechanics free energies
Christopher J Woods, Frederick R Manby, Adrian J Mulholland
The Journal of Chemical Physics
|
February 10, 2011
A water-swap reaction coordinate for the calculation of absolute protein-ligand binding free energies
Christopher J Woods, Maturos Malaisree, Supot Hannongbua, et al.
Journal of Computational Chemistry
|
February 4, 2010
A massively multicore parallelization of the Kohn-Sham energy gradients
Philip Brown, Christopher J Woods, Simon McIntosh-Smith, et al.
Journal of Rehabilitation Research and Development
|
May 6, 2016
Registering methodology for imaging and analysis of residual-limb shape after transtibial amputation
Alexander S Dickinson, Joshua W Steer, Christopher J Woods, et al.
Biochemistry
|
October 17, 2013
Analysis and assay of oseltamivir-resistant mutants of influenza neuraminidase via direct observation of drug unbinding and rebinding in simulation
Christopher J Woods, Maturos Malaisree, Benjamin Long, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Lennard-Jones Parameters for B3LYP/CHARMM27 QM/MM Modeling of Nucleic Acid Bases
Ulla Pentikäinen, Katherine E Shaw, Kittusamy Senthilkumar, et al.
Scientific Reports
|
December 21, 2013
Computational assay of H7N9 influenza neuraminidase reveals R292K mutation reduces drug binding affinity
Christopher J Woods, Maturos Malaisree, Ben Long, et al.
Journal of the Royal Society, Interface
|
July 10, 2008
Biomolecular simulation and modelling: status, progress and prospects
Marc W van der Kamp, Katherine E Shaw, Christopher J Woods, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 20) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
November 27, 2015
Multicore Parallelization of Kohn-Sham Theory
Christopher J Woods, Philip Brown, Frederick R Manby
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 neuraminidase
Christopher J Woods, Katherine E Shaw, Adrian J Mulholland
The Journal of Chemical Physics
|
January 15, 2008
An efficient method for the calculation of quantum mechanics/molecular mechanics free energies
Christopher J Woods, Frederick R Manby, Adrian J Mulholland
The Journal of Chemical Physics
|
February 10, 2011
A water-swap reaction coordinate for the calculation of absolute protein-ligand binding free energies
Christopher J Woods, Maturos Malaisree, Supot Hannongbua, et al.
Journal of Computational Chemistry
|
February 4, 2010
A massively multicore parallelization of the Kohn-Sham energy gradients
Philip Brown, Christopher J Woods, Simon McIntosh-Smith, et al.
Journal of Rehabilitation Research and Development
|
May 6, 2016
Registering methodology for imaging and analysis of residual-limb shape after transtibial amputation
Alexander S Dickinson, Joshua W Steer, Christopher J Woods, et al.
Biochemistry
|
October 17, 2013
Analysis and assay of oseltamivir-resistant mutants of influenza neuraminidase via direct observation of drug unbinding and rebinding in simulation
Christopher J Woods, Maturos Malaisree, Benjamin Long, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Lennard-Jones Parameters for B3LYP/CHARMM27 QM/MM Modeling of Nucleic Acid Bases
Ulla Pentikäinen, Katherine E Shaw, Kittusamy Senthilkumar, et al.
Scientific Reports
|
December 21, 2013
Computational assay of H7N9 influenza neuraminidase reveals R292K mutation reduces drug binding affinity
Christopher J Woods, Maturos Malaisree, Ben Long, et al.
Journal of the Royal Society, Interface
|
July 10, 2008
Biomolecular simulation and modelling: status, progress and prospects
Marc W van der Kamp, Katherine E Shaw, Christopher J Woods, et al.
Page
of 2