关键词: IC50 MM-GB/SA Molecular docking Molecular dynamics PDE4B
Mesh : Binding Sites Cyclic Nucleotide Phosphodiesterases, Type 4 / chemistry Humans Ligands Molecular Docking Simulation Molecular Dynamics Simulation Molecular Structure Phosphodiesterase 4 Inhibitors / chemistry Protein Binding Protein Conformation Quantitative Structure-Activity Relationship Rolipram / chemistry Small Molecule Libraries / chemistry Thermodynamics
来 源:
DOI:10.1007/s10822-017-0024-7
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