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Journal of Computer-Aided Molecular Design
|
October 18, 2006
Computational photochemistry of retinal proteins
Marius Wanko, Michael Hoffmann, Thomas Frauenheim, et al.
Plos One
|
April 10, 2014
Ligand photo-isomerization triggers conformational changes in iGluR2 ligand binding domain
Tino Wolter, Thomas Steinbrecher, Dirk Trauner, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 20, 2021
Multiscale QM/MM molecular dynamics simulations of the trimeric major light-harvesting complex II
Sayan Maity, Vangelis Daskalakis, Marcus Elstner, et al.
The Journal of Physical Chemistry. B
|
June 12, 2008
Efficient calculation of charge-transfer matrix elements for hole transfer in DNA
Tomás Kubar, P Benjamin Woiczikowski, Gianaurelio Cuniberti, et al.
Journal of Chemical Information and Modeling
|
October 9, 2025
Multiscale Computational Workflow to Determine Stability of Disulfide Bridges in Proteins─Application to IgG Antibodies
Sani Idris Alhassan, Tomáš Kubař, Marcus Elstner, et al.
The Journal of Physical Chemistry. B
|
July 29, 2011
Nonadiabatic QM/MM simulations of fast charge transfer in Escherichia coli DNA photolyase
Paul Benjamin Woiczikowski, Thomas Steinbrecher, Tomáš Kubař, et al.
The Journal of Physical Chemistry. A
|
September 26, 2009
Automatized parametrization of SCC-DFTB repulsive potentials: application to hydrocarbons
Michael Gaus, Chien-Pin Chou, Henryk Witek, et al.
Journal of the American Chemical Society
|
December 24, 2014
Solvent driving force ensures fast formation of a persistent and well-separated radical pair in plant cryptochrome
Gesa Lüdemann, Ilia A Solov'yov, Tomáš Kubař, et al.
Chemical Reviews
|
April 14, 2016
Semiempirical Quantum Mechanical Methods for Noncovalent Interactions for Chemical and Biochemical Applications
Anders S Christensen, Tomáš Kubař, Qiang Cui, et al.
Physical Review Letters
|
December 11, 2012
Time-dependent view of sequential transport through molecules with rapidly fluctuating bridges
Bogdan Popescu, P Benjamin Woiczikowski, Marcus Elstner, et al.
Page
of 16
Search research articles
Search
Showing results (41-50 of 158) with videos related to
Sort By:
Page
of 16
Journal of Computer-Aided Molecular Design
|
October 18, 2006
Computational photochemistry of retinal proteins
Marius Wanko, Michael Hoffmann, Thomas Frauenheim, et al.
Plos One
|
April 10, 2014
Ligand photo-isomerization triggers conformational changes in iGluR2 ligand binding domain
Tino Wolter, Thomas Steinbrecher, Dirk Trauner, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 20, 2021
Multiscale QM/MM molecular dynamics simulations of the trimeric major light-harvesting complex II
Sayan Maity, Vangelis Daskalakis, Marcus Elstner, et al.
The Journal of Physical Chemistry. B
|
June 12, 2008
Efficient calculation of charge-transfer matrix elements for hole transfer in DNA
Tomás Kubar, P Benjamin Woiczikowski, Gianaurelio Cuniberti, et al.
Journal of Chemical Information and Modeling
|
October 9, 2025
Multiscale Computational Workflow to Determine Stability of Disulfide Bridges in Proteins─Application to IgG Antibodies
Sani Idris Alhassan, Tomáš Kubař, Marcus Elstner, et al.
The Journal of Physical Chemistry. B
|
July 29, 2011
Nonadiabatic QM/MM simulations of fast charge transfer in Escherichia coli DNA photolyase
Paul Benjamin Woiczikowski, Thomas Steinbrecher, Tomáš Kubař, et al.
The Journal of Physical Chemistry. A
|
September 26, 2009
Automatized parametrization of SCC-DFTB repulsive potentials: application to hydrocarbons
Michael Gaus, Chien-Pin Chou, Henryk Witek, et al.
Journal of the American Chemical Society
|
December 24, 2014
Solvent driving force ensures fast formation of a persistent and well-separated radical pair in plant cryptochrome
Gesa Lüdemann, Ilia A Solov'yov, Tomáš Kubař, et al.
Chemical Reviews
|
April 14, 2016
Semiempirical Quantum Mechanical Methods for Noncovalent Interactions for Chemical and Biochemical Applications
Anders S Christensen, Tomáš Kubař, Qiang Cui, et al.
Physical Review Letters
|
December 11, 2012
Time-dependent view of sequential transport through molecules with rapidly fluctuating bridges
Bogdan Popescu, P Benjamin Woiczikowski, Marcus Elstner, et al.
Page
of 16