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Berk Hess

Showing results (21-30 of 40) with videos related to

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Journal of Computational Chemistry|May 27, 2022
Improving efficiency of large time-scale molecular dynamics simulations of hydrogen-rich systemsK Anton Feenstra, Berk Hess, Herman J C Berendsen
Soft Matter|July 19, 2020
Long time atomistic polymer trajectories from coarse grained simulations: bisphenol-A polycarbonateBerk Hess, Salvador León, Nico van der Vegt, et al.
Journal of Chemical Theory and Computation|December 2, 2015
GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular SimulationBerk Hess, Carsten Kutzner, David van der Spoel, et al.
Journal of Chemical Information and Modeling|January 12, 2024
phbuilder: A Tool for Efficiently Setting up Constant pH Molecular Dynamics Simulations in GROMACSAnton Jansen, Noora Aho, Gerrit Groenhof, et al.
Journal of Molecular Biology|October 21, 2005
Reproducible polypeptide folding and structure prediction using molecular dynamics simulationsM Marvin Seibert, Alexandra Patriksson, Berk Hess, et al.
Journal of Chemical Theory and Computation|December 1, 2015
Implementation of the CHARMM Force Field in GROMACS: Analysis of Protein Stability Effects from Correction Maps, Virtual Interaction Sites, and Water ModelsPär Bjelkmar, Per Larsson, Michel A Cuendet, et al.
Journal of Chemical Theory and Computation|September 21, 2022
Scalable Constant pH Molecular Dynamics in GROMACSNoora Aho, Pavel Buslaev, Anton Jansen, et al.
Journal of Chemical Theory and Computation|September 15, 2022
Best Practices in Constant pH MD Simulations: Accuracy and SamplingPavel Buslaev, Noora Aho, Anton Jansen, et al.
The Journal of Physical Chemistry. B|March 18, 2011
Ion pairing in aqueous electrolyte solutions with biologically relevant anionsPritam Ganguly, Pim Schravendijk, Berk Hess, et al.
Biophysical Journal|September 15, 2022
Skin permeability prediction with MD simulation sampling spatial and alchemical reaction coordinatesMagnus Lundborg, Christian Wennberg, Jack Lidmar, et al.
Pageof 4

Showing results (21-30 of 40) with videos related to

Sort By:
Pageof 4
Journal of Computational Chemistry|May 27, 2022
Improving efficiency of large time-scale molecular dynamics simulations of hydrogen-rich systemsK Anton Feenstra, Berk Hess, Herman J C Berendsen
Soft Matter|July 19, 2020
Long time atomistic polymer trajectories from coarse grained simulations: bisphenol-A polycarbonateBerk Hess, Salvador León, Nico van der Vegt, et al.
Journal of Chemical Theory and Computation|December 2, 2015
GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular SimulationBerk Hess, Carsten Kutzner, David van der Spoel, et al.
Journal of Chemical Information and Modeling|January 12, 2024
phbuilder: A Tool for Efficiently Setting up Constant pH Molecular Dynamics Simulations in GROMACSAnton Jansen, Noora Aho, Gerrit Groenhof, et al.
Journal of Molecular Biology|October 21, 2005
Reproducible polypeptide folding and structure prediction using molecular dynamics simulationsM Marvin Seibert, Alexandra Patriksson, Berk Hess, et al.
Journal of Chemical Theory and Computation|December 1, 2015
Implementation of the CHARMM Force Field in GROMACS: Analysis of Protein Stability Effects from Correction Maps, Virtual Interaction Sites, and Water ModelsPär Bjelkmar, Per Larsson, Michel A Cuendet, et al.
Journal of Chemical Theory and Computation|September 21, 2022
Scalable Constant pH Molecular Dynamics in GROMACSNoora Aho, Pavel Buslaev, Anton Jansen, et al.
Journal of Chemical Theory and Computation|September 15, 2022
Best Practices in Constant pH MD Simulations: Accuracy and SamplingPavel Buslaev, Noora Aho, Anton Jansen, et al.
The Journal of Physical Chemistry. B|March 18, 2011
Ion pairing in aqueous electrolyte solutions with biologically relevant anionsPritam Ganguly, Pim Schravendijk, Berk Hess, et al.
Biophysical Journal|September 15, 2022
Skin permeability prediction with MD simulation sampling spatial and alchemical reaction coordinatesMagnus Lundborg, Christian Wennberg, Jack Lidmar, et al.
Pageof 4