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Physical Chemistry Chemical Physics : PCCP
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April 19, 2013
Comparison of MM/GBSA calculations based on explicit and implicit solvent simulations
Frithjof Godschalk, Samuel Genheden, Pär Söderhjelm, et al.
Biochimica Et Biophysica Acta. Biomembranes
|
December 7, 2016
G protein coupled receptor interactions with cholesterol deep in the membrane
Samuel Genheden, Jonathan W Essex, Anthony G Lee
Journal of Chemical Theory and Computation
|
December 1, 2015
Nonpolar Solvation Free Energies of Protein-Ligand Complexes
Samuel Genheden, Jacob Kongsted, Pär Söderhjelm, et al.
Journal of Chemical Theory and Computation
|
December 1, 2015
Starting-Condition Dependence of Order Parameters Derived from Molecular Dynamics Simulations
Samuel Genheden, Carl Diehl, Mikael Akke, et al.
Molecular Informatics
|
September 7, 2023
Data-driven approaches for identifying hyperparameters in multi-step retrosynthesis
Annie M Westerlund, Bente Barge, Lewis Mervin, et al.
The Journal of Physical Chemistry. B
|
April 10, 2019
Mechanism of Trehalose-Induced Protein Stabilization from Neutron Scattering and Modeling
Christoffer Olsson, Samuel Genheden, Victoria García Sakai, et al.
Journal of Chemical Information and Modeling
|
September 10, 2025
Precedent Finder: Locating Pareto-Optimal Reactions
Christoph A Bauer, Thierry Kogej, Samuel Genheden, et al.
Journal of Biomolecular NMR
|
July 31, 2009
Conformational entropy changes upon lactose binding to the carbohydrate recognition domain of galectin-3
Carl Diehl, Samuel Genheden, Kristofer Modig, et al.
Journal of Chemical Information and Modeling
|
July 24, 2012
The normal-mode entropy in the MM/GBSA method: effect of system truncation, buffer region, and dielectric constant
Samuel Genheden, Oliver Kuhn, Paulius Mikulskis, et al.
The Journal of Physical Chemistry. B
|
June 8, 2010
An MM/3D-RISM approach for ligand binding affinities
Samuel Genheden, Tyler Luchko, Sergey Gusarov, et al.
Page
of 7
Search research articles
Search
Showing results (31-40 of 66) with videos related to
Sort By:
Page
of 7
Physical Chemistry Chemical Physics : PCCP
|
April 19, 2013
Comparison of MM/GBSA calculations based on explicit and implicit solvent simulations
Frithjof Godschalk, Samuel Genheden, Pär Söderhjelm, et al.
Biochimica Et Biophysica Acta. Biomembranes
|
December 7, 2016
G protein coupled receptor interactions with cholesterol deep in the membrane
Samuel Genheden, Jonathan W Essex, Anthony G Lee
Journal of Chemical Theory and Computation
|
December 1, 2015
Nonpolar Solvation Free Energies of Protein-Ligand Complexes
Samuel Genheden, Jacob Kongsted, Pär Söderhjelm, et al.
Journal of Chemical Theory and Computation
|
December 1, 2015
Starting-Condition Dependence of Order Parameters Derived from Molecular Dynamics Simulations
Samuel Genheden, Carl Diehl, Mikael Akke, et al.
Molecular Informatics
|
September 7, 2023
Data-driven approaches for identifying hyperparameters in multi-step retrosynthesis
Annie M Westerlund, Bente Barge, Lewis Mervin, et al.
The Journal of Physical Chemistry. B
|
April 10, 2019
Mechanism of Trehalose-Induced Protein Stabilization from Neutron Scattering and Modeling
Christoffer Olsson, Samuel Genheden, Victoria García Sakai, et al.
Journal of Chemical Information and Modeling
|
September 10, 2025
Precedent Finder: Locating Pareto-Optimal Reactions
Christoph A Bauer, Thierry Kogej, Samuel Genheden, et al.
Journal of Biomolecular NMR
|
July 31, 2009
Conformational entropy changes upon lactose binding to the carbohydrate recognition domain of galectin-3
Carl Diehl, Samuel Genheden, Kristofer Modig, et al.
Journal of Chemical Information and Modeling
|
July 24, 2012
The normal-mode entropy in the MM/GBSA method: effect of system truncation, buffer region, and dielectric constant
Samuel Genheden, Oliver Kuhn, Paulius Mikulskis, et al.
The Journal of Physical Chemistry. B
|
June 8, 2010
An MM/3D-RISM approach for ligand binding affinities
Samuel Genheden, Tyler Luchko, Sergey Gusarov, et al.
Page
of 7