Discovery of novel covalent proteasome inhibitors through a combination of pharmacophore screening, covalent docking, and molecular dynamics simulations.
Li, Aibo
Discovery of novel covalent proteasome inhibitors through a combination of pharmacophore screening, covalent docking, and molecular dynamics simulations. [electronic resource] - Journal of molecular modeling Nov 2014 - 2515 p. digital
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
0948-5023
10.1007/s00894-014-2515-y doi
Animals
Binding Sites
Databases, Chemical
Databases, Pharmaceutical
Drug Discovery--methods
Ligands
Mice
Molecular Docking Simulation
Molecular Dynamics Simulation
Molecular Structure
Molecular Targeted Therapy
Proteasome Endopeptidase Complex--chemistry
Proteasome Inhibitors--chemistry
Protein Binding
Protein Conformation
Structure-Activity Relationship
Discovery of novel covalent proteasome inhibitors through a combination of pharmacophore screening, covalent docking, and molecular dynamics simulations. [electronic resource] - Journal of molecular modeling Nov 2014 - 2515 p. digital
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
0948-5023
10.1007/s00894-014-2515-y doi
Animals
Binding Sites
Databases, Chemical
Databases, Pharmaceutical
Drug Discovery--methods
Ligands
Mice
Molecular Docking Simulation
Molecular Dynamics Simulation
Molecular Structure
Molecular Targeted Therapy
Proteasome Endopeptidase Complex--chemistry
Proteasome Inhibitors--chemistry
Protein Binding
Protein Conformation
Structure-Activity Relationship