DFMD: Fast and Effective DelPhiForce Steered Molecular Dynamics Approach to Model Ligand Approach Toward a Receptor: Application to Spermine Synthase Enzyme.
Frontiers in Molecular Biosciences（2019）
Key words
electrostatic interaction,steered molecular dynamics simulation,protein-ligand binding,spermine synthase,electrostatic funnel,electrostatic forces
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