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Journal of Chemical Theory and Computation
|
November 19, 2015
Quantifying Artifacts in Ewald Simulations of Inhomogeneous Systems with a Net Charge
Jochen S Hub, Bert L de Groot, Helmut Grubmüller, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 27, 2012
Photochemical reactions in biological systems: probing the effect of the environment by means of hybrid quantum chemistry/molecular mechanics simulations
Martial Boggio-Pasqua, Carl F Burmeister, Michael A Robb, et al.
The Journal of Physical Chemistry Letters
|
August 28, 2019
Tracking Polariton Relaxation with Multiscale Molecular Dynamics Simulations
Gerrit Groenhof, Clàudia Climent, Johannes Feist, et al.
Nature Communications
|
October 19, 2023
Multi-scale molecular dynamics simulations of enhanced energy transfer in organic molecules under strong coupling
Ilia Sokolovskii, Ruth H Tichauer, Dmitry Morozov, et al.
Journal of Chemical Theory and Computation
|
September 21, 2022
Scalable Constant pH Molecular Dynamics in GROMACS
Noora Aho, Pavel Buslaev, Anton Jansen, et al.
The Journal of Physical Chemistry Letters
|
June 30, 2022
Identifying Vibrations that Control Non-adiabatic Relaxation of Polaritons in Strongly Coupled Molecule-Cavity Systems
Ruth H Tichauer, Dmitry Morozov, Ilia Sokolovskii, et al.
Journal of Computational Chemistry
|
June 29, 2016
Corrigendum: g_membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation
Maarten G Wolf, Martin Hoefling, Camilo Aponte-Santamaría, et al.
Proteins
|
July 12, 2002
Signal transduction in the photoactive yellow protein. II. Proton transfer initiates conformational changes
Gerrit Groenhof, Marc F Lensink, Herman J C Berendsen, et al.
Journal of Chemical Theory and Computation
|
September 15, 2022
Best Practices in Constant pH MD Simulations: Accuracy and Sampling
Pavel Buslaev, Noora Aho, Anton Jansen, et al.
Journal of Computational Chemistry
|
March 26, 2010
g_membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation
Maarten G Wolf, Martin Hoefling, Camilo Aponte-Santamaría, et al.
Page
of 9
Search research articles
Search
Showing results (41-50 of 86) with videos related to
Sort By:
Page
of 9
Journal of Chemical Theory and Computation
|
November 19, 2015
Quantifying Artifacts in Ewald Simulations of Inhomogeneous Systems with a Net Charge
Jochen S Hub, Bert L de Groot, Helmut Grubmüller, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 27, 2012
Photochemical reactions in biological systems: probing the effect of the environment by means of hybrid quantum chemistry/molecular mechanics simulations
Martial Boggio-Pasqua, Carl F Burmeister, Michael A Robb, et al.
The Journal of Physical Chemistry Letters
|
August 28, 2019
Tracking Polariton Relaxation with Multiscale Molecular Dynamics Simulations
Gerrit Groenhof, Clàudia Climent, Johannes Feist, et al.
Nature Communications
|
October 19, 2023
Multi-scale molecular dynamics simulations of enhanced energy transfer in organic molecules under strong coupling
Ilia Sokolovskii, Ruth H Tichauer, Dmitry Morozov, et al.
Journal of Chemical Theory and Computation
|
September 21, 2022
Scalable Constant pH Molecular Dynamics in GROMACS
Noora Aho, Pavel Buslaev, Anton Jansen, et al.
The Journal of Physical Chemistry Letters
|
June 30, 2022
Identifying Vibrations that Control Non-adiabatic Relaxation of Polaritons in Strongly Coupled Molecule-Cavity Systems
Ruth H Tichauer, Dmitry Morozov, Ilia Sokolovskii, et al.
Journal of Computational Chemistry
|
June 29, 2016
Corrigendum: g_membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation
Maarten G Wolf, Martin Hoefling, Camilo Aponte-Santamaría, et al.
Proteins
|
July 12, 2002
Signal transduction in the photoactive yellow protein. II. Proton transfer initiates conformational changes
Gerrit Groenhof, Marc F Lensink, Herman J C Berendsen, et al.
Journal of Chemical Theory and Computation
|
September 15, 2022
Best Practices in Constant pH MD Simulations: Accuracy and Sampling
Pavel Buslaev, Noora Aho, Anton Jansen, et al.
Journal of Computational Chemistry
|
March 26, 2010
g_membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation
Maarten G Wolf, Martin Hoefling, Camilo Aponte-Santamaría, et al.
Page
of 9