Podcast
Questions and Answers
Which method involves generating conformations by systematically assigning values to torsion angles of rotatable bonds in a molecule?
Which method involves generating conformations by systematically assigning values to torsion angles of rotatable bonds in a molecule?
- Simulated annealing
- Random conformational search
- Depth-first search
- Grid search (correct)
Which method involves an iterative procedure where a structure is randomly modified and minimized to generate new conformations?
Which method involves an iterative procedure where a structure is randomly modified and minimized to generate new conformations?
- Grid search
- Random conformational search (correct)
- Depth-first search
- Simulated annealing
Which method uses a depth-first search with tree pruning to eliminate structures with high-energy due to clashes?
Which method uses a depth-first search with tree pruning to eliminate structures with high-energy due to clashes?
- Grid search
- Depth-first search (correct)
- Simulated annealing
- Random conformational search
Which method involves gradual reduction of temperature to explore the search space more widely?
Which method involves gradual reduction of temperature to explore the search space more widely?
Which function is used to score and rank different members of the population in the evolution process?
Which function is used to score and rank different members of the population in the evolution process?
What is the composition of the chromosome in GASP?
What is the composition of the chromosome in GASP?
How are new potential members of the population generated in the evolution process?
How are new potential members of the population generated in the evolution process?
What is the genetic operator that involves swapping bits in two parent chromosomes?
What is the genetic operator that involves swapping bits in two parent chromosomes?
Which type of functional group is more likely to act as an acceptor in intermolecular interactions?
Which type of functional group is more likely to act as an acceptor in intermolecular interactions?
What is the purpose of 3D pharmacophore searching?
What is the purpose of 3D pharmacophore searching?
What is the first stage in the two-stage procedure of 3D database searching?
What is the first stage in the two-stage procedure of 3D database searching?
What is the purpose of structure-generation programs in 3D databases?
What is the purpose of structure-generation programs in 3D databases?
Which computational models are required to determine the steric and electronic properties of a molecule?
Which computational models are required to determine the steric and electronic properties of a molecule?
What is the purpose of the CSD and PDB databases?
What is the purpose of the CSD and PDB databases?
What is the main difference between the CSD and PDB databases?
What is the main difference between the CSD and PDB databases?
Which method uses clique detection to generate a series of low-energy conformations for each molecule?
Which method uses clique detection to generate a series of low-energy conformations for each molecule?
What is the scoring function used in the Maximum Likelihood Method for Pharmacophore Mapping?
What is the scoring function used in the Maximum Likelihood Method for Pharmacophore Mapping?
What is the main purpose of the Genetic Algorithm?
What is the main purpose of the Genetic Algorithm?
What is a clique in the context of pharmacophore mapping?
What is a clique in the context of pharmacophore mapping?
Which process involves deriving a 3D pharmacophore by identifying the pharmacophoric groups in each molecule that will be overlaid in the final pharmacophore?
Which process involves deriving a 3D pharmacophore by identifying the pharmacophoric groups in each molecule that will be overlaid in the final pharmacophore?
What is the objective when deriving a 3D pharmacophore?
What is the objective when deriving a 3D pharmacophore?
What does molecular dynamics solve in the system?
What does molecular dynamics solve in the system?
What is the purpose of the constrained systematic search procedure in pharmacophore mapping?
What is the purpose of the constrained systematic search procedure in pharmacophore mapping?
