Podcast
Questions and Answers
Which type of functional group has the greater propensity to act as an acceptor in intermolecular interactions?
Which type of functional group has the greater propensity to act as an acceptor in intermolecular interactions?
- Carbonyl groups
- Ester groups (correct)
- Ether groups
- Hydroxyl groups
What are 3D pharmacophores used for?
What are 3D pharmacophores used for?
- Identification of compounds with 2D properties
- Identification of compounds with high biological activity
- Identification of compounds with similar chemical structures
- Identification of compounds with 3D properties (correct)
What is the purpose of 3D pharmacophore searching?
What is the purpose of 3D pharmacophore searching?
- To identify structures with high biological activity
- To identify structures with high solubility
- To identify structures with desired activity (correct)
- To identify structures with similar chemical structures
What is the first stage in the two-stage procedure for 3D database searching?
What is the first stage in the two-stage procedure for 3D database searching?
What is the purpose of conformational analysis?
What is the purpose of conformational analysis?
Which type of function is used to score and rank different members of the population in the GASP algorithm?
Which type of function is used to score and rank different members of the population in the GASP algorithm?
What is the structure of the chromosome in GASP?
What is the structure of the chromosome in GASP?
What does each binary string in the chromosome represent in GASP?
What does each binary string in the chromosome represent in GASP?
How are new members of the population generated in GASP?
How are new members of the population generated in GASP?
What does the mutation operator involve in GASP?
What does the mutation operator involve in GASP?
Which method involves generating conformations by systematically assigning values to torsion angles?
Which method involves generating conformations by systematically assigning values to torsion angles?
What is the total number of conformations generated by the grid search if there are 3 variable torsion angles with 3, 2, and 2 values permitted to each, respectively?
What is the total number of conformations generated by the grid search if there are 3 variable torsion angles with 3, 2, and 2 values permitted to each, respectively?
Which method involves randomly modifying and minimizing previously generated structures to search for new conformations?
Which method involves randomly modifying and minimizing previously generated structures to search for new conformations?
What is the Metropolis criterion used for in the Metropolis Monte Carlo scheme?
What is the Metropolis criterion used for in the Metropolis Monte Carlo scheme?
What does simulated annealing involve?
What does simulated annealing involve?
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 the PDB databases?
What is the purpose of the CSD and the PDB databases?
Which technique is commonly used to determine protein structures in the PDB database?
Which technique is commonly used to determine protein structures in the PDB database?
What is the main purpose of comparative modeling (homology modeling)?
What is the main purpose of comparative modeling (homology modeling)?
What type of information can be derived from the CSD database?
What type of information can be derived from the CSD database?
According to the text, what is a clique in graph theory?
According to the text, what is a clique in graph theory?
What is the purpose of the DISCO program mentioned in the text?
What is the purpose of the DISCO program mentioned in the text?
Which method uses a pre-calculated set of low-energy conformations obtained using poling?
Which method uses a pre-calculated set of low-energy conformations obtained using poling?
What does the scoring function used in the maximum likelihood method take into account?
What does the scoring function used in the maximum likelihood method take into account?
What is the purpose of genetic algorithms (GAs) mentioned in the text?
What is the purpose of genetic algorithms (GAs) mentioned in the text?
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?
Which method solves Newton’s equations of motion for the atoms in the system, to give a trajectory that defines how the positions of the atoms vary with time?
Which method solves Newton’s equations of motion for the atoms in the system, to give a trajectory that defines how the positions of the atoms vary with time?
Which objective is to determine the 3D pharmacophore(s) that contains the largest number of features common to all of the active molecules, and where these common features can be presented by each molecule in a low-energy conformation?
Which objective is to determine the 3D pharmacophore(s) that contains the largest number of features common to all of the active molecules, and where these common features can be presented by each molecule in a low-energy conformation?
Which method involves transforming a distance matrix into a trial set of cartesian coordinates?
Which method involves transforming a distance matrix into a trial set of cartesian coordinates?
Which enzyme in Mycobacterium tuberculosis (Mtb), primarily involved in the lipid biosynthesis pathway, was chosen as the drug target in the study mentioned in the text?
Which enzyme in Mycobacterium tuberculosis (Mtb), primarily involved in the lipid biosynthesis pathway, was chosen as the drug target in the study mentioned in the text?
