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Molecular dynamic simulations with docking methods

Molecular dynamics simulation methods are currently the most popular approaches. This method is for the analysis of protein flexibility and dynamic properties of molecular systems. With respect to docking, these simulations could provide a realistic view of the docking process, however, these calculations are still out of reach. Therefore, dynamical simulations during the docking process are limited to the protein-ligand complexes. Molecular dynamical simulations are often... [Pg.4027]

Pak Y, Wang S. Application of a molecular dynamics simulation method with a generalized effective potential to the flexible molecular docking problems. J Phys Chem B 2000 104 354-359. [Pg.436]

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See also in sourсe #XX -- [ Pg.292 , Pg.298 ]

See also in sourсe #XX -- [ Pg.292 , Pg.298 ]

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Docking

Docking methods

Docking simulation methods

Docking simulations

Docks

Dynamic method

Dynamic simulation

Dynamical simulations

Molecular Dynamics Simulation

Molecular docking

Molecular dynamics method

Molecular dynamics simulation method

Molecular simulations

Simulation methods

Simulation methods dynamic