Combining Docking and Molecular Dynamic Simulations in Drug Design
Copyright policy )Combining Docking and Molecular Dynamic Simulations in Drug Design
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- Australian National University Australia
Virtual screening, Models, Molecular, Keywords: 4 [1 (4 fluorobenzyl) 2 pyrrolyl] 2,4 dioxobutyric acid, Ligand-binding site, Protein Conformation, cathepsin D, Trajectory, Protein-ligand interactions, Molecular dynamics, Ligands, Drug design, Docking, collagenase inhibitor, cyclooxygenase 1, Protein flexibility, Computer Simulation, adenosine receptor, cyclin dependent kinase 2, aldehyde reductase, cyclin dependent kinase 4, acetylcholinesterase, Rotamer library, avidin, bx 5633, Drug Design, Ligand conformations, Thermodynamics, Scoring function, cyclooxygen Binding free energies
Virtual screening, Models, Molecular, Keywords: 4 [1 (4 fluorobenzyl) 2 pyrrolyl] 2,4 dioxobutyric acid, Ligand-binding site, Protein Conformation, cathepsin D, Trajectory, Protein-ligand interactions, Molecular dynamics, Ligands, Drug design, Docking, collagenase inhibitor, cyclooxygenase 1, Protein flexibility, Computer Simulation, adenosine receptor, cyclin dependent kinase 2, aldehyde reductase, cyclin dependent kinase 4, acetylcholinesterase, Rotamer library, avidin, bx 5633, Drug Design, Ligand conformations, Thermodynamics, Scoring function, cyclooxygen Binding free energies
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