Molecular Docking Scoring Problems

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Questions and Answers

What type of docking considers both receptor and ligand flexibility?

  • Semi-flexible ligand docking
  • Flexible docking (correct)
  • Rigid body docking
  • Pseudo-flexible ligand docking

In which type of docking are both partners treated as rigid?

  • Rigid body docking (correct)
  • (Pseudo/Semi)-Flexible ligand docking
  • Unbound docking
  • Flexible docking

What is the primary goal of 'bound' docking?

  • Producing a new co-crystallized complex
  • Reconstructing the original complex of two molecules (correct)
  • Introducing flexibility in the ligand
  • Achieving conformational changes in the molecules

What is the critical element in a search procedure according to the text?

<p>Effectiveness in covering relevant conformational space (C)</p> Signup and view all the answers

Which type of docking requires considering the active site of the protein?

<p>Targeted docking (B)</p> Signup and view all the answers

What is the primary difference between bound and unbound docking?

<p>'Bound' docking involves splitting co-crystallized molecules, while 'unbound' uses them as is. (C)</p> Signup and view all the answers

Which type of docking tests the validity of algorithms by reconstructing original complexes?

<p>'Bound' docking (D)</p> Signup and view all the answers

'(Pseudo/Semi)-Flexible ligand docking' mainly focuses on which element being flexible?

<p>'Ligand' (A)</p> Signup and view all the answers

'Grid Generation Construction' is primarily associated with which aspect of molecular docking?

<p>'Blind' docking (B)</p> Signup and view all the answers

'Speed and effectiveness in covering relevant conformational space' are highlighted as critical in which phase of molecular docking?

<p>'Blind' docking (A)</p> Signup and view all the answers

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