The All India iGEM Meet (AIIM) is a premier annual event where iGEM
teams from across India come together to exchange ideas, showcase innovations,
and learn from each other. Hosted by a different team each year, AIIM fosters
collaboration and knowledge-sharing, with the 2024 edition organized by
the IISc Bangalore team. Alongside insightful talks by leading experts from
academia, industry, and entrepreneurship, the meet offers an
exceptional opportunity for teams to connect and grow. In 2024, the
IISc-Software team led an exciting workshop on "Computational Biology
and Structural Visualization of Proteins," delving into specialized topics
such as protein electrostatics and statistical mechanics. AIIM served
as a dynamic platform for sparking new ideas, building networks, and deepening
participants' understanding of these cutting-edge fields.
Workshop Summary
The primary goal of this workshop was to share our knowledge on protein
electrostatics and statistical mechanics—topics that are often unfamiliar to
undergraduate students. Recognizing this gap, we aimed to provide a
comprehensive introduction and offer valuable resources to help
participants gain a deeper understanding of these advanced subjects. All the
codes, and hands-on exercises were shared with the participants in the form of
a github repository. The link to the website is
here.
Protein Structure Visualization with PyMol:
We demonstrated some basics of PyMol, talked about commonly used
file formats like PDB and PQR, alongside advanced features
like alignment, morphing, and mutagenesis. The focus protein, NCC, was
used to explain ion channels and their mutations, which cause the
Gitelman Syndrome.
Python Automation and APBS Electrostatics:
We covered automating PyMol tasks using Python and introduced participants
to the APBS command-line tools and web-server for calculating
electrostatic potentials, making the topic more approachable.
Statistical Mechanics for Molecular Dynamics:
Here we shared an overview of molecular simulations, underlying
algorithms, limitations in their biological applications, and best
practices for conducting simulations. The goal of this presentation was to
highlight the potential of these methods in synthetic biology.
Reviews
The workshop was well-received by a diverse audience, including students from
other iGEM teams, IISc undergraduates, and MTech students from the CDS
department. Participants praised the practical insights into APBS and
molecular simulations, expressing interest in similar future sessions. iGEM
teams from IISER TVM and IIT Bombay were particularly enthusiastic, with many
eager to explore these advanced topics further.
Talk by Dr. Debnath Pal - Our Primary PI
In the talk titled "Snippets from Computing on COVID", Debnath sir delved into the critical role of computational biology in understanding the complexities of SARS-CoV-2, especially when experimental data and observations were conflicting during the pandemic. The central question addressed was, "Why is SARS-CoV-2 so contagious?" Drawing from previous experiments and ongoing research, sir explained how computational models have been essential in reconciling divergent findings from lab-based experiments. One key focus was the infection initiation model, which helps explain the virus's heightened transmissibility compared to other coronaviruses. Current results from computational studies have provided insights into the virus's mechanisms of infection, such as its efficient binding to host receptors, which underpins its contagiousness. The talk concluded by emphasizing how computational approaches continue to be invaluable for filling gaps where traditional experiments fall short, ultimately advancing our understanding of COVID-19.
School Visit to NPS Rajajinagar
To teach high school students about synthetic and computational biology, we
began by introducing DNA and proteins, giving them a solid foundational
understanding. This was followed by a
hands-on DNA extraction experiment using papaya, allowing students to
reinforce their knowledge through practical experience. Next, we conducted a
quiz on molecular biology concepts to deepen their comprehension of synthetic
biology. Finally, we demonstrated how scientists use software like PyMOL to
visualize protein structures and biomolecules, enhancing the students'
understanding of computational biology.
Our team tailored the explanations for the students at a 10th-grade
level, ensuring that the material on key biomolecular segments and relevant
biophysical concepts was understandable. We did this after consulting with
Mrs. Sushma Ravikiran, a biology faculty member at
Carmel School, to make sure the content was appropriate for their
educational level.
Demonstration of DNA
The students were highly responsive, showing genuine curiosity and asking many
insightful questions about how and why things work in biology. They were
especially fascinated by the revolutionary potential of
synthetic biology, which sparked their interest in exploring more about
the field.
Demonstration of Proteins
Next, we introduced the students to protein structures, focusing on
Keratin and Haemoglobin, two proteins that are familiar to the students.
Keratin
We explained keratin as a structural protein found in hair, nails, and
skin. The focus was on the difference between alpha-keratin in hair
and beta-keratin in nails, linking the vertical lines in nails to
the arrangement of beta-keratin.
Haemoglobin
We explored Haemoglobin's role in oxygen transport and used the
1a3n.pdb
file to visualize its tetrameric structure. Through PyMOL, we demonstrated
how iron binds to oxygen and the structural changes during oxygen binding
and release, giving students a clear view of this essential process.
The students were highly responsive, showing genuine curiosity and asking many
insightful questions about how and why things work in biology. They were
especially fascinated by the revolutionary potential of synthetic biology,
which sparked their interest in exploring more about the field.
BioComp-Bytes
We organised BioComp-Bytes, a series of talks where professors from all over
the world known for their works in Computational Biology, Bioinformatics and
other aspects of Biological Sciences present and interact with the audience.
These talks are aimed at providing a platform for the students and researchers
to learn about the latest advancements in the field of Computational Biology
and Bioinformatics. This series is also intended to spread awareness about the
different computational tools and techniques that are being used in the field
of Biological Sciences, for Protein Structure Prediction, Drug Discovery,
Protein Analysis and more.