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The Journal of Physical Chemistry. B
|
August 14, 2008
Polarization of water in the first hydration shell of K+ and Ca2+ ions
Denis Bucher, Serdar Kuyucak
The Journal of General Physiology
|
June 2, 2010
Molecular simulations of ion channels: a quantum chemist's perspective
Denis Bucher, Ursula Rothlisberger
Biophysical Journal
|
May 29, 2007
The protonation state of the Glu-71/Asp-80 residues in the KcsA potassium channel: a first-principles QM/MM molecular dynamics study
Denis Bucher, Leonardo Guidoni, Ursula Rothlisberger
Journal of Chemical Information and Modeling
|
March 1, 2018
Shedding Light on Important Waters for Drug Design: Simulations versus Grid-Based Methods
Denis Bucher, Pieter Stouten, Nicolas Triballeau
The Journal of Chemical Physics
|
March 25, 2010
Dissociation of NaCl in water from ab initio molecular dynamics simulations
Jeff Timko, Denis Bucher, Serdar Kuyucak
Journal of Chemical Theory and Computation
|
December 1, 2015
Ab Initio Study of Water Polarization in the Hydration Shell of Aqueous Hydroxide: Comparison between Polarizable and Nonpolarizable Water Models
Denis Bucher, Angus Gray-Weale, Serdar Kuyucak
The Journal of Physical Chemistry. B
|
February 9, 2019
Mechanistic Implications of Reductive Co-C Bond Cleavage in B<sub>12</sub>-Dependent Methylmalonyl CoA Mutase
Neeraj Kumar, Denis Bucher, Pawel M Kozlowski
Biophysical Journal
|
May 21, 2010
Coordination numbers of K(+) and Na(+) Ions inside the selectivity filter of the KcsA potassium channel: insights from first principles molecular dynamics
Denis Bucher, Leonardo Guidoni, Paolo Carloni, et al.
Biochemistry
|
November 5, 2011
Induced fit or conformational selection? The role of the semi-closed state in the maltose binding protein
Denis Bucher, Barry J Grant, J Andrew McCammon
Journal of Chemical Theory and Computation
|
November 28, 2015
Developing Improved Charge Sets for the Modeling of the KcsA K(+) Channel Using QM/MM Electrostatic Potentials
Denis Bucher, Leonardo Guidoni, Patrick Maurer, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 29) with videos related to
Sort By:
Page
of 3
The Journal of Physical Chemistry. B
|
August 14, 2008
Polarization of water in the first hydration shell of K+ and Ca2+ ions
Denis Bucher, Serdar Kuyucak
The Journal of General Physiology
|
June 2, 2010
Molecular simulations of ion channels: a quantum chemist's perspective
Denis Bucher, Ursula Rothlisberger
Biophysical Journal
|
May 29, 2007
The protonation state of the Glu-71/Asp-80 residues in the KcsA potassium channel: a first-principles QM/MM molecular dynamics study
Denis Bucher, Leonardo Guidoni, Ursula Rothlisberger
Journal of Chemical Information and Modeling
|
March 1, 2018
Shedding Light on Important Waters for Drug Design: Simulations versus Grid-Based Methods
Denis Bucher, Pieter Stouten, Nicolas Triballeau
The Journal of Chemical Physics
|
March 25, 2010
Dissociation of NaCl in water from ab initio molecular dynamics simulations
Jeff Timko, Denis Bucher, Serdar Kuyucak
Journal of Chemical Theory and Computation
|
December 1, 2015
Ab Initio Study of Water Polarization in the Hydration Shell of Aqueous Hydroxide: Comparison between Polarizable and Nonpolarizable Water Models
Denis Bucher, Angus Gray-Weale, Serdar Kuyucak
The Journal of Physical Chemistry. B
|
February 9, 2019
Mechanistic Implications of Reductive Co-C Bond Cleavage in B<sub>12</sub>-Dependent Methylmalonyl CoA Mutase
Neeraj Kumar, Denis Bucher, Pawel M Kozlowski
Biophysical Journal
|
May 21, 2010
Coordination numbers of K(+) and Na(+) Ions inside the selectivity filter of the KcsA potassium channel: insights from first principles molecular dynamics
Denis Bucher, Leonardo Guidoni, Paolo Carloni, et al.
Biochemistry
|
November 5, 2011
Induced fit or conformational selection? The role of the semi-closed state in the maltose binding protein
Denis Bucher, Barry J Grant, J Andrew McCammon
Journal of Chemical Theory and Computation
|
November 28, 2015
Developing Improved Charge Sets for the Modeling of the KcsA K(+) Channel Using QM/MM Electrostatic Potentials
Denis Bucher, Leonardo Guidoni, Patrick Maurer, et al.
Page
of 3