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The Journal of Physical Chemistry. B
|
February 4, 2014
Effect of protein environment within cytochrome P450cam evaluated using a polarizable-embedding QM/MM method
Nandun M Thellamurege, Hajime Hirao
The Journal of Chemical Physics
|
January 3, 2013
Note: FixSol solvation model and FIXPVA2 tessellation scheme
Nandun M Thellamurege, Hui Li
The Journal of Chemical Physics
|
September 7, 2013
Quantum mechanical/molecular mechanical/continuum style solvation model: time-dependent density functional theory
Nandun M Thellamurege, Fengchao Cui, Hui Li
The Journal of Chemical Physics
|
May 10, 2014
Quantum mechanical/molecular mechanical/continuum style solvation model: second order Møller-Plesset perturbation theory
Nandun M Thellamurege, Dejun Si, Fengchao Cui, et al.
International Journal of Molecular Sciences
|
December 20, 2013
Importance of H-abstraction in the final step of nitrosoalkane formation in the mechanism-based inactivation of cytochrome P450 by amine-containing drugs
Hajime Hirao, Nandun M Thellamurege, Pratanphorn Chuanprasit, et al.
Journal of Computational Chemistry
|
October 15, 2013
QuanPol: a full spectrum and seamless QM/MM program
Nandun M Thellamurege, Dejun Si, Fengchao Cui, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
The Journal of Physical Chemistry. B
|
February 4, 2014
Effect of protein environment within cytochrome P450cam evaluated using a polarizable-embedding QM/MM method
Nandun M Thellamurege, Hajime Hirao
The Journal of Chemical Physics
|
January 3, 2013
Note: FixSol solvation model and FIXPVA2 tessellation scheme
Nandun M Thellamurege, Hui Li
The Journal of Chemical Physics
|
September 7, 2013
Quantum mechanical/molecular mechanical/continuum style solvation model: time-dependent density functional theory
Nandun M Thellamurege, Fengchao Cui, Hui Li
The Journal of Chemical Physics
|
May 10, 2014
Quantum mechanical/molecular mechanical/continuum style solvation model: second order Møller-Plesset perturbation theory
Nandun M Thellamurege, Dejun Si, Fengchao Cui, et al.
International Journal of Molecular Sciences
|
December 20, 2013
Importance of H-abstraction in the final step of nitrosoalkane formation in the mechanism-based inactivation of cytochrome P450 by amine-containing drugs
Hajime Hirao, Nandun M Thellamurege, Pratanphorn Chuanprasit, et al.
Journal of Computational Chemistry
|
October 15, 2013
QuanPol: a full spectrum and seamless QM/MM program
Nandun M Thellamurege, Dejun Si, Fengchao Cui, et al.
Page
of 1