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The Journal of Physical Chemistry Letters
|
June 26, 2018
Exploiting Coordinate Scaling Relations To Accelerate Exact Exchange Calculations
Martin P Bircher, Ursula Rothlisberger
The Journal of Physical Chemistry. A
|
August 12, 2009
Ab initio excited state properties and dynamics of a prototype sigma-bridged-donor-acceptor molecule
Enrico Tapavicza, Ivano Tavernelli, Ursula Rothlisberger
The Journal of Physical Chemistry. A
|
October 2, 2009
Binding of organometallic ruthenium(II) anticancer compounds to nucleobases: a computational study
Christian Gossens, Ivano Tavernelli, Ursula Rothlisberger
Journal of the American Chemical Society
|
July 25, 2008
DNA structural distortions induced by ruthenium-arene anticancer compounds
Christian Gossens, Ivano Tavernelli, Ursula Rothlisberger
Chembiochem : a European Journal of Chemical Biology
|
March 28, 2013
Mechanism to trigger unfolding in O(6) -alkylguanine-DNA alkyltransferase
Elizabeth Brunk, Birgit Mollwitz, Ursula Rothlisberger
Journal of Chemical Theory and Computation
|
September 14, 2020
Redox Properties of Native and Damaged DNA from Mixed Quantum Mechanical/Molecular Mechanics Molecular Dynamics Simulations
Polydefkis Diamantis, Ivano Tavernelli, Ursula Rothlisberger
Accounts of Chemical Research
|
June 19, 2002
The role and perspective of ab initio molecular dynamics in the study of biological systems
Paolo Carloni, Ursula Rothlisberger, Michele Parrinello
Biochemistry
|
December 13, 2016
Effect of N-Terminal Myristoylation on the Active Conformation of Gα<sub>i1</sub>-GTP
Siri C van Keulen, Ursula Rothlisberger
Physical Review Letters
|
March 16, 2007
Trajectory surface hopping within linear response time-dependent density-functional theory
Enrico Tapavicza, Ivano Tavernelli, Ursula Rothlisberger
Journal of Chemical Theory and Computation
|
January 24, 2023
Surrogate Based Genetic Algorithm Method for Efficient Identification of Low-Energy Peptide Structures
Justin Villard, Murat Kılıç, Ursula Rothlisberger
Page
of 21
Search research articles
Search
Showing results (11-20 of 204) with videos related to
Sort By:
Page
of 21
The Journal of Physical Chemistry Letters
|
June 26, 2018
Exploiting Coordinate Scaling Relations To Accelerate Exact Exchange Calculations
Martin P Bircher, Ursula Rothlisberger
The Journal of Physical Chemistry. A
|
August 12, 2009
Ab initio excited state properties and dynamics of a prototype sigma-bridged-donor-acceptor molecule
Enrico Tapavicza, Ivano Tavernelli, Ursula Rothlisberger
The Journal of Physical Chemistry. A
|
October 2, 2009
Binding of organometallic ruthenium(II) anticancer compounds to nucleobases: a computational study
Christian Gossens, Ivano Tavernelli, Ursula Rothlisberger
Journal of the American Chemical Society
|
July 25, 2008
DNA structural distortions induced by ruthenium-arene anticancer compounds
Christian Gossens, Ivano Tavernelli, Ursula Rothlisberger
Chembiochem : a European Journal of Chemical Biology
|
March 28, 2013
Mechanism to trigger unfolding in O(6) -alkylguanine-DNA alkyltransferase
Elizabeth Brunk, Birgit Mollwitz, Ursula Rothlisberger
Journal of Chemical Theory and Computation
|
September 14, 2020
Redox Properties of Native and Damaged DNA from Mixed Quantum Mechanical/Molecular Mechanics Molecular Dynamics Simulations
Polydefkis Diamantis, Ivano Tavernelli, Ursula Rothlisberger
Accounts of Chemical Research
|
June 19, 2002
The role and perspective of ab initio molecular dynamics in the study of biological systems
Paolo Carloni, Ursula Rothlisberger, Michele Parrinello
Biochemistry
|
December 13, 2016
Effect of N-Terminal Myristoylation on the Active Conformation of Gα<sub>i1</sub>-GTP
Siri C van Keulen, Ursula Rothlisberger
Physical Review Letters
|
March 16, 2007
Trajectory surface hopping within linear response time-dependent density-functional theory
Enrico Tapavicza, Ivano Tavernelli, Ursula Rothlisberger
Journal of Chemical Theory and Computation
|
January 24, 2023
Surrogate Based Genetic Algorithm Method for Efficient Identification of Low-Energy Peptide Structures
Justin Villard, Murat Kılıç, Ursula Rothlisberger
Page
of 21