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Journal of Computational Chemistry
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July 12, 2012
Evaluating nonpolarizable nucleic acid force fields: a systematic comparison of the nucleobases hydration free energies and chloroform-to-water partition coefficients
Maarten G Wolf, Gerrit Groenhof
Current Opinion in Structural Biology
|
January 14, 2020
Observe while it happens: catching photoactive proteins in the act with non-adiabatic molecular dynamics simulations
Gerrit Groenhof, Vaibhav Modi, Dmitry Morozov
Journal of Chemical Theory and Computation
|
July 23, 2024
Do All Paths Lead to Rome? How Reliable is Umbrella Sampling Along a Single Path?
Noora Aho, Gerrit Groenhof, Pavel Buslaev
The Journal of Chemical Physics
|
October 1, 2024
One molecule to couple them all: Toward realistic numbers of molecules in multiscale molecular dynamics simulations of exciton-polaritons
Ilia Sokolovskii, Dmitry Morozov, Gerrit Groenhof
The Journal of Physical Chemistry. B
|
October 31, 2024
What Is the Protonation State of Proteins in Crystals? Insights from Constant pH Molecular Dynamics Simulations
Noora Aho, Gerrit Groenhof, Pavel Buslaev
The Journal of Physical Chemistry. B
|
August 7, 2013
Combined QM/MM investigation on the light-driven electron-induced repair of the (6-4) thymine dimer catalyzed by DNA photolyase
Shirin Faraji, Gerrit Groenhof, Andreas Dreuw
Journal of Computational Chemistry
|
August 5, 2015
New QM/MM implementation of the DFTB3 method in the gromacs package
Tomáš Kubař, Kai Welke, Gerrit Groenhof
The Journal of Physical Chemistry Letters
|
June 24, 2025
Disentangling Enhanced Diffusion and Ballistic Motion of Excitons Coupled to Bloch Surface Waves with Molecular Dynamics Simulations
Ilia Sokolovskii, Yunyi Luo, Gerrit Groenhof
Nature Communications
|
July 2, 2025
Quantum dynamics simulation of exciton-polariton transport
Niclas Krupp, Gerrit Groenhof, Oriol Vendrell
The Journal of Chemical Physics
|
March 16, 2021
Multi-scale dynamics simulations of molecular polaritons: The effect of multiple cavity modes on polariton relaxation
Ruth H Tichauer, Johannes Feist, Gerrit Groenhof
Page
of 9
Search research articles
Search
Showing results (11-20 of 86) with videos related to
Sort By:
Page
of 9
Journal of Computational Chemistry
|
July 12, 2012
Evaluating nonpolarizable nucleic acid force fields: a systematic comparison of the nucleobases hydration free energies and chloroform-to-water partition coefficients
Maarten G Wolf, Gerrit Groenhof
Current Opinion in Structural Biology
|
January 14, 2020
Observe while it happens: catching photoactive proteins in the act with non-adiabatic molecular dynamics simulations
Gerrit Groenhof, Vaibhav Modi, Dmitry Morozov
Journal of Chemical Theory and Computation
|
July 23, 2024
Do All Paths Lead to Rome? How Reliable is Umbrella Sampling Along a Single Path?
Noora Aho, Gerrit Groenhof, Pavel Buslaev
The Journal of Chemical Physics
|
October 1, 2024
One molecule to couple them all: Toward realistic numbers of molecules in multiscale molecular dynamics simulations of exciton-polaritons
Ilia Sokolovskii, Dmitry Morozov, Gerrit Groenhof
The Journal of Physical Chemistry. B
|
October 31, 2024
What Is the Protonation State of Proteins in Crystals? Insights from Constant pH Molecular Dynamics Simulations
Noora Aho, Gerrit Groenhof, Pavel Buslaev
The Journal of Physical Chemistry. B
|
August 7, 2013
Combined QM/MM investigation on the light-driven electron-induced repair of the (6-4) thymine dimer catalyzed by DNA photolyase
Shirin Faraji, Gerrit Groenhof, Andreas Dreuw
Journal of Computational Chemistry
|
August 5, 2015
New QM/MM implementation of the DFTB3 method in the gromacs package
Tomáš Kubař, Kai Welke, Gerrit Groenhof
The Journal of Physical Chemistry Letters
|
June 24, 2025
Disentangling Enhanced Diffusion and Ballistic Motion of Excitons Coupled to Bloch Surface Waves with Molecular Dynamics Simulations
Ilia Sokolovskii, Yunyi Luo, Gerrit Groenhof
Nature Communications
|
July 2, 2025
Quantum dynamics simulation of exciton-polariton transport
Niclas Krupp, Gerrit Groenhof, Oriol Vendrell
The Journal of Chemical Physics
|
March 16, 2021
Multi-scale dynamics simulations of molecular polaritons: The effect of multiple cavity modes on polariton relaxation
Ruth H Tichauer, Johannes Feist, Gerrit Groenhof
Page
of 9