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Samuel Genheden

Showing results (11-20 of 66) with videos related to

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Journal of Chemical Theory and Computation|November 25, 2015
Comparison of the Efficiency of the LIE and MM/GBSA Methods to Calculate Ligand-Binding EnergiesSamuel Genheden, Ulf Ryde
Journal of Computational Chemistry|December 7, 2010
A comparison of different initialization protocols to obtain statistically independent molecular dynamics simulationsSamuel Genheden, Ulf Ryde
Journal of Chemical Theory and Computation|November 25, 2015
Improving the Efficiency of Protein-Ligand Binding Free-Energy Calculations by System TruncationSamuel Genheden, Ulf Ryde
Chemical Science|August 25, 2025
Measuring the efficiency of synthetic routes and transformations using vectors derived from similarity and complexitySamuel Genheden, Gareth P Howell
Journal of Chemical Theory and Computation|August 20, 2016
Estimation of Liposome Penetration Barriers of Drug Molecules with All-Atom and Coarse-Grained ModelsSamuel Genheden, Leif A Eriksson
Journal of Computer-Aided Molecular Design|July 28, 2016
All-atom/coarse-grained hybrid predictions of distribution coefficients in SAMPL5Samuel Genheden, Jonathan W Essex
Computational and Structural Biotechnology Journal|April 2, 2014
Of mice and men: Dissecting the interaction between Listeria monocytogenes Internalin A and E-cadherinSamuel Genheden, Leif A Eriksson
Journal of Chemical Theory and Computation|November 18, 2015
A simple and transferable all-atom/coarse-grained hybrid model to study membrane processesSamuel Genheden, Jonathan W Essex
Journal of Computer-Aided Molecular Design|June 25, 2011
A QM/MM study of the binding of RAPTA ligands to cathepsin BAntonella Ciancetta, Samuel Genheden, Ulf Ryde
Journal of Computational Chemistry|August 18, 2015
Binding affinities by alchemical perturbation using QM/MM with a large QM system and polarizable MM modelSamuel Genheden, Ulf Ryde, Pär Söderhjelm
Pageof 7

Showing results (11-20 of 66) with videos related to

Sort By:
Pageof 7
Journal of Chemical Theory and Computation|November 25, 2015
Comparison of the Efficiency of the LIE and MM/GBSA Methods to Calculate Ligand-Binding EnergiesSamuel Genheden, Ulf Ryde
Journal of Computational Chemistry|December 7, 2010
A comparison of different initialization protocols to obtain statistically independent molecular dynamics simulationsSamuel Genheden, Ulf Ryde
Journal of Chemical Theory and Computation|November 25, 2015
Improving the Efficiency of Protein-Ligand Binding Free-Energy Calculations by System TruncationSamuel Genheden, Ulf Ryde
Chemical Science|August 25, 2025
Measuring the efficiency of synthetic routes and transformations using vectors derived from similarity and complexitySamuel Genheden, Gareth P Howell
Journal of Chemical Theory and Computation|August 20, 2016
Estimation of Liposome Penetration Barriers of Drug Molecules with All-Atom and Coarse-Grained ModelsSamuel Genheden, Leif A Eriksson
Journal of Computer-Aided Molecular Design|July 28, 2016
All-atom/coarse-grained hybrid predictions of distribution coefficients in SAMPL5Samuel Genheden, Jonathan W Essex
Computational and Structural Biotechnology Journal|April 2, 2014
Of mice and men: Dissecting the interaction between Listeria monocytogenes Internalin A and E-cadherinSamuel Genheden, Leif A Eriksson
Journal of Chemical Theory and Computation|November 18, 2015
A simple and transferable all-atom/coarse-grained hybrid model to study membrane processesSamuel Genheden, Jonathan W Essex
Journal of Computer-Aided Molecular Design|June 25, 2011
A QM/MM study of the binding of RAPTA ligands to cathepsin BAntonella Ciancetta, Samuel Genheden, Ulf Ryde
Journal of Computational Chemistry|August 18, 2015
Binding affinities by alchemical perturbation using QM/MM with a large QM system and polarizable MM modelSamuel Genheden, Ulf Ryde, Pär Söderhjelm
Pageof 7