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Plos Computational Biology
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May 23, 2013
Two misfolding routes for the prion protein around pH 4.5
Julian Garrec, Ivano Tavernelli, Ursula Rothlisberger
Plos Computational Biology
|
September 12, 2017
Exploring the inhibition mechanism of adenylyl cyclase type 5 by n-terminal myristoylated Gαi1
Siri 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 Theory
Manuel 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 Simulations
Elisa 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 Repair
Polydefkis Diamantis, Ivano Tavernelli, Ursula Rothlisberger
Proteins
|
April 14, 2005
Folding pathways for initiator and effector procaspases from computer simulations
Stefano 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 study
Denis Bucher, Leonardo Guidoni, Ursula Rothlisberger
The Journal of Chemical Physics
|
April 2, 2009
Nonadiabatic coupling vectors within linear response time-dependent density functional theory
Ivano Tavernelli, Enrico Tapavicza, Ursula Rothlisberger
Journal of Chemical Theory and Computation
|
November 27, 2015
Secondary Structure Assignment of Amyloid-β Peptide Using Chemical Shifts
Geoffrey P F Wood, Ursula Rothlisberger
The Journal of Chemical Physics
|
January 23, 2022
A multiple time step algorithm for trajectory surface hopping simulations
Pablo Baudin, François Mouvet, Ursula Rothlisberger
Page
of 21
Search research articles
Search
Showing results (21-30 of 204) with videos related to
Sort By:
Page
of 21
Plos Computational Biology
|
May 23, 2013
Two misfolding routes for the prion protein around pH 4.5
Julian Garrec, Ivano Tavernelli, Ursula Rothlisberger
Plos Computational Biology
|
September 12, 2017
Exploring the inhibition mechanism of adenylyl cyclase type 5 by n-terminal myristoylated Gαi1
Siri 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 Theory
Manuel 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 Simulations
Elisa 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 Repair
Polydefkis Diamantis, Ivano Tavernelli, Ursula Rothlisberger
Proteins
|
April 14, 2005
Folding pathways for initiator and effector procaspases from computer simulations
Stefano 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 study
Denis Bucher, Leonardo Guidoni, Ursula Rothlisberger
The Journal of Chemical Physics
|
April 2, 2009
Nonadiabatic coupling vectors within linear response time-dependent density functional theory
Ivano Tavernelli, Enrico Tapavicza, Ursula Rothlisberger
Journal of Chemical Theory and Computation
|
November 27, 2015
Secondary Structure Assignment of Amyloid-β Peptide Using Chemical Shifts
Geoffrey P F Wood, Ursula Rothlisberger
The Journal of Chemical Physics
|
January 23, 2022
A multiple time step algorithm for trajectory surface hopping simulations
Pablo Baudin, François Mouvet, Ursula Rothlisberger
Page
of 21