Computational Biology Seminar

(BIOSC 1630)

Sep 4, 2024

Lecture 02:
Reading literature

Announcements

The theme/primer is a starting point, not a limitation

Protein structure prediction

CADD

Requirement: Must compare and contrast various protein structure prediction methods

Requirement: Must be related to protein-ligand docking and/or molecular simulations

You could focus on ...

  • Antibody-antigen binding
  • Enzyme design
  • Drug targets

You could focus on ...

  • ML vs physics-based scoring functions
  • Cost or accuracy of alchemical simulations
  • Rigid and Flexible docking

How to find and identify specific article types

Review

Let's start with a basic AlphaFold search

Primary

Perspective

  • Has a Materials or Methods section
  • Look for "Research article" or "Journal article" on the article
  • Include "perspective OR opinion" in the search
  • Similar to Reviews, the authors can add their opinions instead of being solely based on literature

Your professional growth is my goal

Each activity is designed to improve your readiness for higher education or employment

However, I may over or under estimate required effort or time

Please let me know if an activity or assignment is too much; I can be flexible within reason

After today, you should be able to

1.  Identify the main question, hypothesis or innovation, and significance.
2.  Evaluate and understand the methods.
3.  Interpret figures, tables, and data visualizations.
4.  Identify the key takeaways and conclusions.
5.  Apply critical thinking skills to assess the strengths, limitations, and biases.

Today's paper

We are going to learn and practice effective reading techniques for an unfamiliar research article

General outline for each section:

  • Guided reading
  • Group discussions
  • Alex fills in any gaps and explanations

After today, you should be able to

1.  Identify the main question, hypothesis or innovation, and significance.
2.  Evaluate and understand the methods.
3.  Interpret figures, tables, and data visualizations.
4.  Identify the key takeaways and conclusions.
5.  Apply critical thinking skills to assess the strengths, limitations, and biases.

Ten-minute break

After today, you should be able to

1.  Identify the main question, hypothesis or innovation, and significance.
2.  Evaluate and understand the methods.

3.  Interpret figures, tables, and data visualizations.
4.  Identify the key takeaways and conclusions.
5.  Apply critical thinking skills to assess the strengths, limitations, and biases.

After today, you should be able to

1.  Identify the main question, hypothesis or innovation, and significance.
2.  Evaluate and understand the methods.
3.  Interpret figures, tables, and data visualizations.

4.  Identify the key takeaways and conclusions.
5.  Apply critical thinking skills to assess the strengths, limitations, and biases.

After today, you should be able to

1.  Identify the main question, hypothesis or innovation, and significance.
2.  Evaluate and understand the methods.
3.  Interpret figures, tables, and data visualizations.
4.  Identify the key takeaways and conclusions.

5.  Apply critical thinking skills to assess the strengths, limitations, and biases.

Kinase

Phosphorylate proteins and are popular drug targets

For example, my friend (and collaborator) works on MNK1 for cancer treatments

Molecular simulations give us physical insight into protein-ligand binding

Alchemical simulations

Replica exchange

Alchemical simulations

Envelope distribution sampling

Before the next class, you should

Lecture 03:
Paper 01

Lecture 02:
Reading literature

Today

Next Wednesday

BIOSC 1630: Lecture 02

By aalexmmaldonado

BIOSC 1630: Lecture 02

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