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Journal of Chemical Theory and Computation
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December 18, 2014
Role of Desolvation in Thermodynamics and Kinetics of Ligand Binding to a Kinase
Jagannath Mondal, Richard A Friesner, B J Berne
Proceedings of the National Academy of Sciences of the United States of America
|
July 7, 2005
Computational prediction of native protein ligand-binding and enzyme active site sequences
Raj Chakrabarti, Alexander M Klibanov, Richard A Friesner
Proceedings of the National Academy of Sciences of the United States of America
|
August 17, 2005
Sequence optimization and designability of enzyme active sites
Raj Chakrabarti, Alexander M Klibanov, Richard A Friesner
The Journal of Chemical Physics
|
February 22, 2024
Highly efficient implementation of analytic nonadiabatic derivative couplings within the pseudospectral method
Yixiang Cao, Mathew D Halls, Richard A Friesner
Proteins
|
September 10, 2011
Progress in super long loop prediction
Suwen Zhao, Kai Zhu, Jianing Li, et al.
Journal of Chemical Theory and Computation
|
January 25, 2011
The prediction of Fe Mössbauer parameters by the density functional theory: a benchmark study
Arteum D Bochevarov, Richard A Friesner, Stephen J Lippard
Journal of the American Chemical Society
|
January 20, 2005
Substrate hydroxylation in methane monooxygenase: quantitative modeling via mixed quantum mechanics/molecular mechanics techniques
Benjamin F Gherman, Stephen J Lippard, Richard A Friesner
Journal of the American Chemical Society
|
November 13, 2003
Theoretical study of cisplatin binding to purine bases: why does cisplatin prefer guanine over adenine?
Mu-Hyun Baik, Richard A Friesner, Stephen J Lippard
Inorganic Chemistry
|
November 12, 2002
Ab initio quantum calculation of the diabatic coupling matrix elements for the self-exchange redox couples M(Cp)20/+ (M = Fe, Co; Cp = C5H5)
Mu-Hyun Baik, Joseph B Crystal, Richard A Friesner
Nano Letters
|
March 12, 2014
Covalent O-H bonds as electron traps in proton-rich rutile TiO2 nanoparticles
Jing Zhang, Michael Steigerwald, Louis Brus, et al.
Page
of 19
Search research articles
Search
Showing results (31-40 of 182) with videos related to
Sort By:
Page
of 19
Journal of Chemical Theory and Computation
|
December 18, 2014
Role of Desolvation in Thermodynamics and Kinetics of Ligand Binding to a Kinase
Jagannath Mondal, Richard A Friesner, B J Berne
Proceedings of the National Academy of Sciences of the United States of America
|
July 7, 2005
Computational prediction of native protein ligand-binding and enzyme active site sequences
Raj Chakrabarti, Alexander M Klibanov, Richard A Friesner
Proceedings of the National Academy of Sciences of the United States of America
|
August 17, 2005
Sequence optimization and designability of enzyme active sites
Raj Chakrabarti, Alexander M Klibanov, Richard A Friesner
The Journal of Chemical Physics
|
February 22, 2024
Highly efficient implementation of analytic nonadiabatic derivative couplings within the pseudospectral method
Yixiang Cao, Mathew D Halls, Richard A Friesner
Proteins
|
September 10, 2011
Progress in super long loop prediction
Suwen Zhao, Kai Zhu, Jianing Li, et al.
Journal of Chemical Theory and Computation
|
January 25, 2011
The prediction of Fe Mössbauer parameters by the density functional theory: a benchmark study
Arteum D Bochevarov, Richard A Friesner, Stephen J Lippard
Journal of the American Chemical Society
|
January 20, 2005
Substrate hydroxylation in methane monooxygenase: quantitative modeling via mixed quantum mechanics/molecular mechanics techniques
Benjamin F Gherman, Stephen J Lippard, Richard A Friesner
Journal of the American Chemical Society
|
November 13, 2003
Theoretical study of cisplatin binding to purine bases: why does cisplatin prefer guanine over adenine?
Mu-Hyun Baik, Richard A Friesner, Stephen J Lippard
Inorganic Chemistry
|
November 12, 2002
Ab initio quantum calculation of the diabatic coupling matrix elements for the self-exchange redox couples M(Cp)20/+ (M = Fe, Co; Cp = C5H5)
Mu-Hyun Baik, Joseph B Crystal, Richard A Friesner
Nano Letters
|
March 12, 2014
Covalent O-H bonds as electron traps in proton-rich rutile TiO2 nanoparticles
Jing Zhang, Michael Steigerwald, Louis Brus, et al.
Page
of 19