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Journal of Chemical Theory and Computation
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October 28, 2017
Can Biomimetic Zinc Compounds Assist a (3 + 2) Cycloaddition Reaction? A Theoretical Perspective
Esra Bozkurt, Thereza A Soares, Ursula Rothlisberger
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 20, 2005
Solvent and protein effects on the structure and dynamics of the rhodopsin chromophore
Ute F Röhrig, Leonardo Guidoni, Ursula Rothlisberger
Journal of Chemical Theory and Computation
|
December 4, 2023
Plane Waves Versus Correlation-Consistent Basis Sets: A Comparison of MP2 Non-Covalent Interaction Energies in the Complete Basis Set Limit
Justin Villard, Martin P Bircher, Ursula Rothlisberger
Journal of Chemical Theory and Computation
|
September 11, 2020
Efficient Treatment of Correlation Energies at the Basis-Set Limit by Monte Carlo Summation of Continuum States
Martin P Bircher, Justin Villard, Ursula Rothlisberger
Biochemistry
|
August 28, 2002
Early steps of the intramolecular signal transduction in rhodopsin explored by molecular dynamics simulations
Ute F Röhrig, Leonardo Guidoni, Ursula Rothlisberger
Physical Chemistry Chemical Physics : PCCP
|
January 26, 2011
Trajectory-based solution of the nonadiabatic quantum dynamics equations: an on-the-fly approach for molecular dynamics simulations
Basile F E Curchod, Ivano Tavernelli, Ursula Rothlisberger
Biophysical Journal
|
May 21, 2010
Coordination numbers of K(+) and Na(+) Ions inside the selectivity filter of the KcsA potassium channel: insights from first principles molecular dynamics
Denis Bucher, Leonardo Guidoni, Paolo Carloni, et al.
Journal of the American Chemical Society
|
March 18, 2005
Evolutionarily conserved functional mechanics across pepsin-like and retroviral aspartic proteases
Michele Cascella, Cristian Micheletti, Ursula Rothlisberger, et al.
Accounts of Chemical Research
|
January 13, 2022
Recent Advances in First-Principles Based Molecular Dynamics
François Mouvet, Justin Villard, Viacheslav Bolnykh, et al.
Biochemistry
|
May 13, 2010
Role of aggregation in rhodopsin signal transduction
Marilisa Neri, Stefano Vanni, Ivano Tavernelli, et al.
Page
of 21
Search research articles
Search
Showing results (41-50 of 204) with videos related to
Sort By:
Page
of 21
Journal of Chemical Theory and Computation
|
October 28, 2017
Can Biomimetic Zinc Compounds Assist a (3 + 2) Cycloaddition Reaction? A Theoretical Perspective
Esra Bozkurt, Thereza A Soares, Ursula Rothlisberger
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 20, 2005
Solvent and protein effects on the structure and dynamics of the rhodopsin chromophore
Ute F Röhrig, Leonardo Guidoni, Ursula Rothlisberger
Journal of Chemical Theory and Computation
|
December 4, 2023
Plane Waves Versus Correlation-Consistent Basis Sets: A Comparison of MP2 Non-Covalent Interaction Energies in the Complete Basis Set Limit
Justin Villard, Martin P Bircher, Ursula Rothlisberger
Journal of Chemical Theory and Computation
|
September 11, 2020
Efficient Treatment of Correlation Energies at the Basis-Set Limit by Monte Carlo Summation of Continuum States
Martin P Bircher, Justin Villard, Ursula Rothlisberger
Biochemistry
|
August 28, 2002
Early steps of the intramolecular signal transduction in rhodopsin explored by molecular dynamics simulations
Ute F Röhrig, Leonardo Guidoni, Ursula Rothlisberger
Physical Chemistry Chemical Physics : PCCP
|
January 26, 2011
Trajectory-based solution of the nonadiabatic quantum dynamics equations: an on-the-fly approach for molecular dynamics simulations
Basile F E Curchod, Ivano Tavernelli, Ursula Rothlisberger
Biophysical Journal
|
May 21, 2010
Coordination numbers of K(+) and Na(+) Ions inside the selectivity filter of the KcsA potassium channel: insights from first principles molecular dynamics
Denis Bucher, Leonardo Guidoni, Paolo Carloni, et al.
Journal of the American Chemical Society
|
March 18, 2005
Evolutionarily conserved functional mechanics across pepsin-like and retroviral aspartic proteases
Michele Cascella, Cristian Micheletti, Ursula Rothlisberger, et al.
Accounts of Chemical Research
|
January 13, 2022
Recent Advances in First-Principles Based Molecular Dynamics
François Mouvet, Justin Villard, Viacheslav Bolnykh, et al.
Biochemistry
|
May 13, 2010
Role of aggregation in rhodopsin signal transduction
Marilisa Neri, Stefano Vanni, Ivano Tavernelli, et al.
Page
of 21