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BioInformatics_ Algorithms and Applications - - Unit 13 - Week 10

The document outlines the details of Assignment 10 for the NPTEL course on BioInformatics: Algorithms and Applications, including submission deadlines and assessment questions. It covers topics such as virtual screening, scoring functions, QSAR models, and molecular docking algorithms. Students can submit their answers multiple times before the due date, with the final submission being graded.

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ananyagoyal2504
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2 views

BioInformatics_ Algorithms and Applications - - Unit 13 - Week 10

The document outlines the details of Assignment 10 for the NPTEL course on BioInformatics: Algorithms and Applications, including submission deadlines and assessment questions. It covers topics such as virtual screening, scoring functions, QSAR models, and molecular docking algorithms. Students can submit their answers multiple times before the due date, with the final submission being graded.

Uploaded by

ananyagoyal2504
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd
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NPTEL (https://swayam.gov.in/explorer?ncCode=NPTEL) » BioInformatics: Algorithms and Applications (course)

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Assignment 10.

Course Assignment 10
outline Your last recorded submission was on 2024-04-03, 00:27 IST Due date: 2024-04-03, 23:59 IST.

1) Virtual screening involves 1 point


About NPTEL
()
One ligand and one protein
One protein and many ligands
How does an
NPTEL online Many proteins and one ligand
course work? None of these
()
2) GLIDE is based on which scoring function? 1 point
Week 0 ()
Force field
Week 1 () Empirical
Knowledge based
Week 2 ()
All the above

Week 3 ()
For Q3-4, use the data given below to answer the questions
Week 4 ()
The IC50 values of two protein-ligand complexes are 4 nM and 3 nM. The IC50 values are related with
Week 5 () hydrogen bond donor (2 and 1, respectively) and polar surface area (3 and 1, respectively).

3) The regression coefficient of hydrogen bond donor is ________


Week 6 ()
5
Week 7 ()
1 point

Week 8 () 4) The IC50 value of a compound with 2 hydrogen bond donors and a polar surface area of 4 is
_________ nM
Week 9 ()
2

Week 10 () 1 point

Computer aided
5) Residue and atom contact propensities are used in _______ scoring function 1 point
drug design - II
(unit?
Force-field based
unit=89&lesson Knowledge-based
Assessment
=90) submitted.
X Empirical
Virtual
All of these
screening - I
(unit? 6) What are two essential components of a molecular docking algorithm? 1 point
unit=89&lesson
=91) Ligand structure and solubility

Virtual
Scoring function and binding energy
screening - II Search and scoring functions
(unit?
Protein structure and electrostatic potential
unit=89&lesson
=92)
7) In QSAR models, data should be _______________ 1 point
QSAR - I (unit?
unit=89&lesson 5 times less than descriptors
=93) 100 times more than descriptors
QSAR - II (unit? At least 5 times the number of descriptors
unit=89&lesson
Same as descriptors
=94)

Practice: Week 8) QSAR involves the following steps: 1 point


10: Assignment 1. Construction of model
10 (Non 2. Generation of descriptors
Graded) 3. Collection of ligands with experimentally known activity
(assessment?
4. Validation of model
name=162)
5. Feature selection
Quiz: Choose the correct order:
Assignment 10
(assessment? 3→2→5→1→4
name=168) 2→1→3→5→4
Week 10 1→2→3→4→5
Feedback Form 5→4→3→2→1
: BioInformatics:
Algorithms and
9) Which of the following search algorithm is used in docking? 1 point
Applications
(unit?
Simulated Annealing
unit=89&lesson
=95) GOR algorithm
Wunsch Needleman
Week 11 ()
Smith Waterman

Download
Videos () 10) Which databases contain small molecules? 1 point

ZINC and ChEMBL


Text
Transcripts () MPAD and ZINC
DDBJ and PDB
Books () ZINC and TrEMBL

Problem
You may submit any number of times before the due date. The final submission will be considered for
Solving
Session - Jan grading.
2024 () Submit Answers
Assessment submitted.
X

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