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Proceedings of the National Academy of Sciences of the United States of America
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April 18, 2007
Structures and spectral signatures of protonated water networks in bacteriorhodopsin
Gerald Mathias, Dominik Marx
Journal of Chemical Theory and Computation
|
January 14, 2016
Continuous Tempering Molecular Dynamics: A Deterministic Approach to Simulated Tempering
Nicolas Lenner, Gerald Mathias
The Journal of Chemical Physics
|
July 23, 2004
Angular resolution and range of dipole-dipole correlations in water
Gerald Mathias, Paul Tavan
Journal of Chemical Theory and Computation
|
November 26, 2015
Generalized Normal Coordinates for the Vibrational Analysis of Molecular Dynamics Simulations
Gerald Mathias, Marcel D Baer
The Journal of Chemical Physics
|
March 18, 2014
Electrostatics of proteins in dielectric solvent continua. II. Hamiltonian reaction field dynamics
Sebastian Bauer, Paul Tavan, Gerald Mathias
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 31, 2015
Parameterization of the Hamiltonian Dielectric Solvent (HADES) Reaction-Field Method for the Solvation Free Energies of Amino Acid Side-Chain Analogs
Martin Zachmann, Gerald Mathias, Iris Antes
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 18, 2011
Assigning predissociation infrared spectra of microsolvated hydronium cations H3O(+)⋅(H2)n (n=0, 1, 2, 3) by ab initio molecular dynamics
Marcel Baer, Dominik Marx, Gerald Mathias
Journal of the American Chemical Society
|
April 4, 2012
Mechanistic insights into the hydrolysis of a nucleoside triphosphate model in neutral and acidic solution
Rachel Glaves, Gerald Mathias, Dominik Marx
The Journal of Chemical Physics
|
March 18, 2014
Electrostatics of proteins in dielectric solvent continua. I. An accurate and efficient reaction field description
Sebastian Bauer, Gerald Mathias, Paul Tavan
Angewandte Chemie (International Ed. in English)
|
August 25, 2010
Theoretical messenger spectroscopy of microsolvated hydronium and Zundel cations
Marcel Baer, Dominik Marx, Gerald Mathias
Page
of 3
Search research articles
Search
Showing results (1-10 of 28) with videos related to
Sort By:
Page
of 3
Proceedings of the National Academy of Sciences of the United States of America
|
April 18, 2007
Structures and spectral signatures of protonated water networks in bacteriorhodopsin
Gerald Mathias, Dominik Marx
Journal of Chemical Theory and Computation
|
January 14, 2016
Continuous Tempering Molecular Dynamics: A Deterministic Approach to Simulated Tempering
Nicolas Lenner, Gerald Mathias
The Journal of Chemical Physics
|
July 23, 2004
Angular resolution and range of dipole-dipole correlations in water
Gerald Mathias, Paul Tavan
Journal of Chemical Theory and Computation
|
November 26, 2015
Generalized Normal Coordinates for the Vibrational Analysis of Molecular Dynamics Simulations
Gerald Mathias, Marcel D Baer
The Journal of Chemical Physics
|
March 18, 2014
Electrostatics of proteins in dielectric solvent continua. II. Hamiltonian reaction field dynamics
Sebastian Bauer, Paul Tavan, Gerald Mathias
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 31, 2015
Parameterization of the Hamiltonian Dielectric Solvent (HADES) Reaction-Field Method for the Solvation Free Energies of Amino Acid Side-Chain Analogs
Martin Zachmann, Gerald Mathias, Iris Antes
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 18, 2011
Assigning predissociation infrared spectra of microsolvated hydronium cations H3O(+)⋅(H2)n (n=0, 1, 2, 3) by ab initio molecular dynamics
Marcel Baer, Dominik Marx, Gerald Mathias
Journal of the American Chemical Society
|
April 4, 2012
Mechanistic insights into the hydrolysis of a nucleoside triphosphate model in neutral and acidic solution
Rachel Glaves, Gerald Mathias, Dominik Marx
The Journal of Chemical Physics
|
March 18, 2014
Electrostatics of proteins in dielectric solvent continua. I. An accurate and efficient reaction field description
Sebastian Bauer, Gerald Mathias, Paul Tavan
Angewandte Chemie (International Ed. in English)
|
August 25, 2010
Theoretical messenger spectroscopy of microsolvated hydronium and Zundel cations
Marcel Baer, Dominik Marx, Gerald Mathias
Page
of 3