Molecular mechanics calculations of transition metal complexes

1992 ◽  
Vol 31 (12) ◽  
pp. 2638-2644 ◽  
Author(s):  
Paul V. Bernhardt ◽  
Peter Comba
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Molecular Mechanics ◽  
Transition Metal Complexes ◽  
Molecular Mechanics Calculations

Some critical issues in the application of quantum mechanics/molecular mechanics methods to the study of transition metal complexes

2003 ◽  
Vol 124 ◽  
pp. 429-441 ◽  
Author(s):  
David Balcells ◽  
Galí Drudis-Solé ◽  
Maria Besora ◽  
Nicole Dölker ◽  
Gregori Ujaque ◽  
...  
Keyword(s):  
Quantum Mechanics ◽  
Transition Metal ◽  
Metal Complexes ◽  
Molecular Mechanics ◽  
Transition Metal Complexes ◽  
Critical Issues

Molecular mechanics for multiple spin states of transition metal complexes

2003 ◽  
pp. 3949 ◽  
Author(s):  
Robert J. Deeth ◽  
David L. Foulis ◽  
Benjamin J. Williams-Hubbard
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Molecular Mechanics ◽  
Transition Metal Complexes ◽  
Spin States

Selective G-quadruplex stabilizers: Schiff-base metal complexes with anticancer activity

RSC Advances ◽  
2014 ◽  
Vol 4 (63) ◽  
pp. 33245-33256 ◽  
Author(s):  
Alessio Terenzi ◽  
Riccardo Bonsignore ◽  
Angelo Spinello ◽  
Carla Gentile ◽  
Annamaria Martorana ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Quantum Mechanics ◽  
Schiff Base ◽  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Molecular Mechanics Calculations ◽  
G Quadruplex ◽  
Dynamics Simulations ◽  
Schiff Base Metal Complexes

Molecular dynamics simulations and quantum mechanics/molecular mechanics calculations provided a mechanism for G-quadruplex binding of three transition metal complexes.

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