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Journal of Chemical Theory and Computation
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April 23, 2026
Efficient and Equivariant Prediction of Distributed Charges for Accurate Molecular Electrostatics
Eric D Boittier, Markus Meuwly
The Journal of Physical Chemistry. B
|
October 25, 2019
Multistate Reactive Molecular Dynamics Simulations of Proton Diffusion in Water Clusters and in the Bulk
Zhen-Hao Xu, Markus Meuwly
The Journal of Physical Chemistry. B
|
July 31, 2012
Dynamics of water/methanol mixtures at functionalized chromatographic interfaces
Prashant Kumar Gupta, Markus Meuwly
Physical Chemistry Chemical Physics : PCCP
|
October 31, 2013
Hydration free energies of cyanide and hydroxide ions from molecular dynamics simulations with accurate force fields
Myung Won Lee, Markus Meuwly
Molecules (Basel, Switzerland)
|
February 15, 2022
Cross-Correlated Motions in Azidolysozyme
Seyedeh Maryam Salehi, Markus Meuwly
The Journal of Chemical Physics
|
March 16, 2022
Site-selective dynamics of ligand-free and ligand-bound azidolysozyme
Seyedeh Maryam Salehi, Markus Meuwly
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 8, 2004
Ligand dynamics in myoglobin: calculation of infrared spectra for photodissociated NO
David R Nutt, Markus Meuwly
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 20, 2012
Oxygen migration pathways in NO-bound truncated hemoglobin
Pierre-André Cazade, Markus Meuwly
Journal of Chemical Information and Modeling
|
July 2, 2017
Toolkit for the Construction of Reproducing Kernel-Based Representations of Data: Application to Multidimensional Potential Energy Surfaces
Oliver T Unke, Markus Meuwly
Angewandte Chemie (International Ed. in English)
|
January 23, 2018
Kinetic Analysis and Structural Interpretation of Competitive Ligand Binding for NO Dioxygenation in Truncated Hemoglobin N
Akshaya Kumar Das, Markus Meuwly
Page
of 27
Search research articles
Search
Showing results (71-80 of 266) with videos related to
Sort By:
Page
of 27
Journal of Chemical Theory and Computation
|
April 23, 2026
Efficient and Equivariant Prediction of Distributed Charges for Accurate Molecular Electrostatics
Eric D Boittier, Markus Meuwly
The Journal of Physical Chemistry. B
|
October 25, 2019
Multistate Reactive Molecular Dynamics Simulations of Proton Diffusion in Water Clusters and in the Bulk
Zhen-Hao Xu, Markus Meuwly
The Journal of Physical Chemistry. B
|
July 31, 2012
Dynamics of water/methanol mixtures at functionalized chromatographic interfaces
Prashant Kumar Gupta, Markus Meuwly
Physical Chemistry Chemical Physics : PCCP
|
October 31, 2013
Hydration free energies of cyanide and hydroxide ions from molecular dynamics simulations with accurate force fields
Myung Won Lee, Markus Meuwly
Molecules (Basel, Switzerland)
|
February 15, 2022
Cross-Correlated Motions in Azidolysozyme
Seyedeh Maryam Salehi, Markus Meuwly
The Journal of Chemical Physics
|
March 16, 2022
Site-selective dynamics of ligand-free and ligand-bound azidolysozyme
Seyedeh Maryam Salehi, Markus Meuwly
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 8, 2004
Ligand dynamics in myoglobin: calculation of infrared spectra for photodissociated NO
David R Nutt, Markus Meuwly
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 20, 2012
Oxygen migration pathways in NO-bound truncated hemoglobin
Pierre-André Cazade, Markus Meuwly
Journal of Chemical Information and Modeling
|
July 2, 2017
Toolkit for the Construction of Reproducing Kernel-Based Representations of Data: Application to Multidimensional Potential Energy Surfaces
Oliver T Unke, Markus Meuwly
Angewandte Chemie (International Ed. in English)
|
January 23, 2018
Kinetic Analysis and Structural Interpretation of Competitive Ligand Binding for NO Dioxygenation in Truncated Hemoglobin N
Akshaya Kumar Das, Markus Meuwly
Page
of 27