Search research articles
Contact Us
Filters
Showing results (1-10 of 29) with videos related to
Page
of 3
Sort By:
Physical Chemistry Chemical Physics : PCCP
|
January 10, 2023
Enhancement of electronic effects at a biomolecule-inorganic interface by multivalent interactions
Naomi Kramer, Ido Sivron, Guillaume Le Saux, et al.
Bioinformatics (Oxford, England)
|
August 2, 2015
MEPSA: minimum energy pathway analysis for energy landscapes
Iñigo Marcos-Alcalde, Javier Setoain, Jesús I Mendieta-Moreno, et al.
Journal of Chemical Theory and Computation
|
October 31, 2019
Proton Transfer in Guanine-Cytosine Base Pairs in B-DNA
Diego Soler-Polo, Jesús I Mendieta-Moreno, Daniel G Trabada, et al.
Biochemistry
|
January 17, 2013
Simulation of catalytic water activation in mitochondrial F1-ATPase using a hybrid quantum mechanics/molecular mechanics approach: an alternative role for β-Glu 188
Fernando Martín-García, Jesús I Mendieta-Moreno, Iñigo Marcos-Alcalde, et al.
Angewandte Chemie (International Ed. in English)
|
October 14, 2022
Unusual Scaffold Rearrangement in Polyaromatic Hydrocarbons Driven by Concerted Action of Single Gold Atoms on a Gold Surface
Jesús I Mendieta-Moreno, Benjamin Mallada, Bruno de la Torre, et al.
The Journal of Physical Chemistry Letters
|
November 4, 2016
Quantum Mechanics/Molecular Mechanics Free Energy Maps and Nonadiabatic Simulations for a Photochemical Reaction in DNA: Cyclobutane Thymine Dimer
Jesús I Mendieta-Moreno, Daniel G Trabada, Jesús Mendieta, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 8, 2020
Transition from Homochiral Clusters to Racemate Monolayers during 2D Crystallization of Trioxa[11]helicene on Ag(100)
Bahaaeddin Irziqat, Jan Berger, Jesús I Mendieta-Moreno, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 21, 2015
Photo-induced reactions from efficient molecular dynamics with electronic transitions using the FIREBALL local-orbital density functional theory formalism
Vladimír Zobač, James P Lewis, Enrique Abad, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
fireball/amber: An Efficient Local-Orbital DFT QM/MM Method for Biomolecular Systems
Jesús I Mendieta-Moreno, Ross C Walker, James P Lewis, et al.
Advances in Protein Chemistry and Structural Biology
|
September 30, 2015
A Practical Quantum Mechanics Molecular Mechanics Method for the Dynamical Study of Reactions in Biomolecules
Jesús I Mendieta-Moreno, Iñigo Marcos-Alcalde, Daniel G Trabada, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 29) with videos related to
Sort By:
Page
of 3
Physical Chemistry Chemical Physics : PCCP
|
January 10, 2023
Enhancement of electronic effects at a biomolecule-inorganic interface by multivalent interactions
Naomi Kramer, Ido Sivron, Guillaume Le Saux, et al.
Bioinformatics (Oxford, England)
|
August 2, 2015
MEPSA: minimum energy pathway analysis for energy landscapes
Iñigo Marcos-Alcalde, Javier Setoain, Jesús I Mendieta-Moreno, et al.
Journal of Chemical Theory and Computation
|
October 31, 2019
Proton Transfer in Guanine-Cytosine Base Pairs in B-DNA
Diego Soler-Polo, Jesús I Mendieta-Moreno, Daniel G Trabada, et al.
Biochemistry
|
January 17, 2013
Simulation of catalytic water activation in mitochondrial F1-ATPase using a hybrid quantum mechanics/molecular mechanics approach: an alternative role for β-Glu 188
Fernando Martín-García, Jesús I Mendieta-Moreno, Iñigo Marcos-Alcalde, et al.
Angewandte Chemie (International Ed. in English)
|
October 14, 2022
Unusual Scaffold Rearrangement in Polyaromatic Hydrocarbons Driven by Concerted Action of Single Gold Atoms on a Gold Surface
Jesús I Mendieta-Moreno, Benjamin Mallada, Bruno de la Torre, et al.
The Journal of Physical Chemistry Letters
|
November 4, 2016
Quantum Mechanics/Molecular Mechanics Free Energy Maps and Nonadiabatic Simulations for a Photochemical Reaction in DNA: Cyclobutane Thymine Dimer
Jesús I Mendieta-Moreno, Daniel G Trabada, Jesús Mendieta, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 8, 2020
Transition from Homochiral Clusters to Racemate Monolayers during 2D Crystallization of Trioxa[11]helicene on Ag(100)
Bahaaeddin Irziqat, Jan Berger, Jesús I Mendieta-Moreno, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 21, 2015
Photo-induced reactions from efficient molecular dynamics with electronic transitions using the FIREBALL local-orbital density functional theory formalism
Vladimír Zobač, James P Lewis, Enrique Abad, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
fireball/amber: An Efficient Local-Orbital DFT QM/MM Method for Biomolecular Systems
Jesús I Mendieta-Moreno, Ross C Walker, James P Lewis, et al.
Advances in Protein Chemistry and Structural Biology
|
September 30, 2015
A Practical Quantum Mechanics Molecular Mechanics Method for the Dynamical Study of Reactions in Biomolecules
Jesús I Mendieta-Moreno, Iñigo Marcos-Alcalde, Daniel G Trabada, et al.
Page
of 3