Search research articles
Contact Us
Filters
Showing results (1-10 of 45) with videos related to
Page
of 5
Sort By:
Journal of Chemical Information and Modeling
|
April 19, 2024
On Analytical Corrections for Restraints in Absolute Binding Free Energy Calculations
Stefan Boresch
The Journal of Physical Chemistry. B
|
June 11, 2009
Hydration free energies of amino acids: why side chain analog data are not enough
Gerhard König, Stefan Boresch
Journal of Computational Chemistry
|
March 10, 2011
Non-Boltzmann sampling and Bennett's acceptance ratio method: how to profit from bending the rules
Gerhard König, Stefan Boresch
Journal of Computational Chemistry
|
May 25, 2011
Avoiding the van der Waals endpoint problem using serial atomic insertion
Stefan Boresch, Stefan Bruckner
Journal of Computational Chemistry
|
March 23, 2011
Efficiency of alchemical free energy simulations. I. A practical comparison of the exponential formula, thermodynamic integration, and Bennett's acceptance ratio method
Stefan Bruckner, Stefan Boresch
Journal of Computational Chemistry
|
March 23, 2011
Efficiency of alchemical free energy simulations. II. Improvements for thermodynamic integration
Stefan Bruckner, Stefan Boresch
The Journal of Chemical Physics
|
April 20, 2005
Alchemical free energy calculations and multiple conformational substates
Martin Leitgeb, Christian Schröder, Stefan Boresch
The Journal of Chemical Physics
|
February 18, 2014
Transport and dielectric properties of water and the influence of coarse-graining: comparing BMW, SPC/E, and TIP3P models
Daniel Braun, Stefan Boresch, Othmar Steinhauser
Journal of Chemical Theory and Computation
|
June 14, 2021
Dummy Atoms in Alchemical Free Energy Calculations
Markus Fleck, Marcus Wieder, Stefan Boresch
The Journal of Chemical Physics
|
January 22, 2021
Polarizable molecular dynamics simulations of ionic liquids: Influence of temperature control
Esther Heid, Stefan Boresch, Christian Schröder
Page
of 5
Search research articles
Search
Showing results (1-10 of 45) with videos related to
Sort By:
Page
of 5
Journal of Chemical Information and Modeling
|
April 19, 2024
On Analytical Corrections for Restraints in Absolute Binding Free Energy Calculations
Stefan Boresch
The Journal of Physical Chemistry. B
|
June 11, 2009
Hydration free energies of amino acids: why side chain analog data are not enough
Gerhard König, Stefan Boresch
Journal of Computational Chemistry
|
March 10, 2011
Non-Boltzmann sampling and Bennett's acceptance ratio method: how to profit from bending the rules
Gerhard König, Stefan Boresch
Journal of Computational Chemistry
|
May 25, 2011
Avoiding the van der Waals endpoint problem using serial atomic insertion
Stefan Boresch, Stefan Bruckner
Journal of Computational Chemistry
|
March 23, 2011
Efficiency of alchemical free energy simulations. I. A practical comparison of the exponential formula, thermodynamic integration, and Bennett's acceptance ratio method
Stefan Bruckner, Stefan Boresch
Journal of Computational Chemistry
|
March 23, 2011
Efficiency of alchemical free energy simulations. II. Improvements for thermodynamic integration
Stefan Bruckner, Stefan Boresch
The Journal of Chemical Physics
|
April 20, 2005
Alchemical free energy calculations and multiple conformational substates
Martin Leitgeb, Christian Schröder, Stefan Boresch
The Journal of Chemical Physics
|
February 18, 2014
Transport and dielectric properties of water and the influence of coarse-graining: comparing BMW, SPC/E, and TIP3P models
Daniel Braun, Stefan Boresch, Othmar Steinhauser
Journal of Chemical Theory and Computation
|
June 14, 2021
Dummy Atoms in Alchemical Free Energy Calculations
Markus Fleck, Marcus Wieder, Stefan Boresch
The Journal of Chemical Physics
|
January 22, 2021
Polarizable molecular dynamics simulations of ionic liquids: Influence of temperature control
Esther Heid, Stefan Boresch, Christian Schröder
Page
of 5