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Ursula Rothlisberger

Showing results (21-30 of 204) with videos related to

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Plos Computational Biology|May 23, 2013
Two misfolding routes for the prion protein around pH 4.5Julian Garrec, Ivano Tavernelli, Ursula Rothlisberger
Plos Computational Biology|September 12, 2017
Exploring the inhibition mechanism of adenylyl cyclase type 5 by n-terminal myristoylated Gαi1Siri Camee van Keulen, Ursula Rothlisberger
Journal of Chemical Theory and Computation|November 21, 2015
Intricacies of Describing Weak Interactions Involving Halogen Atoms within Density Functional TheoryManuel Doemer, Ivano Tavernelli, Ursula Rothlisberger
Journal of Chemical Theory and Computation|April 7, 2018
A Versatile Multiple Time Step Scheme for Efficient ab Initio Molecular Dynamics SimulationsElisa Liberatore, Rocco Meli, Ursula Rothlisberger
Journal of Chemical Theory and Computation|January 26, 2019
Vertical Ionization Energies and Electron Affinities of Native and Damaged DNA Bases, Nucleotides, and Pairs from Density Functional Theory Calculations: Model Assessment and Implications for DNA Damage Recognition and RepairPolydefkis Diamantis, Ivano Tavernelli, Ursula Rothlisberger
Proteins|April 14, 2005
Folding pathways for initiator and effector procaspases from computer simulationsStefano Piana, Zoe Taylor, 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 studyDenis Bucher, Leonardo Guidoni, Ursula Rothlisberger
The Journal of Chemical Physics|April 2, 2009
Nonadiabatic coupling vectors within linear response time-dependent density functional theoryIvano Tavernelli, Enrico Tapavicza, Ursula Rothlisberger
Journal of Chemical Theory and Computation|November 27, 2015
Secondary Structure Assignment of Amyloid-β Peptide Using Chemical ShiftsGeoffrey P F Wood, Ursula Rothlisberger
The Journal of Chemical Physics|January 23, 2022
A multiple time step algorithm for trajectory surface hopping simulationsPablo Baudin, François Mouvet, Ursula Rothlisberger
Pageof 21

Showing results (21-30 of 204) with videos related to

Sort By:
Pageof 21
Plos Computational Biology|May 23, 2013
Two misfolding routes for the prion protein around pH 4.5Julian Garrec, Ivano Tavernelli, Ursula Rothlisberger
Plos Computational Biology|September 12, 2017
Exploring the inhibition mechanism of adenylyl cyclase type 5 by n-terminal myristoylated Gαi1Siri Camee van Keulen, Ursula Rothlisberger
Journal of Chemical Theory and Computation|November 21, 2015
Intricacies of Describing Weak Interactions Involving Halogen Atoms within Density Functional TheoryManuel Doemer, Ivano Tavernelli, Ursula Rothlisberger
Journal of Chemical Theory and Computation|April 7, 2018
A Versatile Multiple Time Step Scheme for Efficient ab Initio Molecular Dynamics SimulationsElisa Liberatore, Rocco Meli, Ursula Rothlisberger
Journal of Chemical Theory and Computation|January 26, 2019
Vertical Ionization Energies and Electron Affinities of Native and Damaged DNA Bases, Nucleotides, and Pairs from Density Functional Theory Calculations: Model Assessment and Implications for DNA Damage Recognition and RepairPolydefkis Diamantis, Ivano Tavernelli, Ursula Rothlisberger
Proteins|April 14, 2005
Folding pathways for initiator and effector procaspases from computer simulationsStefano Piana, Zoe Taylor, 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 studyDenis Bucher, Leonardo Guidoni, Ursula Rothlisberger
The Journal of Chemical Physics|April 2, 2009
Nonadiabatic coupling vectors within linear response time-dependent density functional theoryIvano Tavernelli, Enrico Tapavicza, Ursula Rothlisberger
Journal of Chemical Theory and Computation|November 27, 2015
Secondary Structure Assignment of Amyloid-β Peptide Using Chemical ShiftsGeoffrey P F Wood, Ursula Rothlisberger
The Journal of Chemical Physics|January 23, 2022
A multiple time step algorithm for trajectory surface hopping simulationsPablo Baudin, François Mouvet, Ursula Rothlisberger
Pageof 21