生体分子モデリング＆ダイナミクス研究室
蛋白質研究所准教授

Laboratory of Biomolecular Modeling and Dynamics

Sandhya P. Tiwari

sandhyatiwari

URL: http://www.protein.osaka-u.ac.jp/modellingdynamics/sandhyaptiwari

provide dynamic glimpses but lack molecular resolution.

Our arsenal of methods includes, but is
not confined to:

We develop methods that amalgamate information from

- **Python Programming:** Harnessing the power ofdiverse sources, building a reliable understanding of thecoding for intricate analyses.

system under scrutiny.

- **Statistical Analysis:** Extracting meaningful insights

Unlocking the Intricacies of Protein
Structures: A Journey into BiologicallyRelevant Dynamics through Computational
Modeling and Simulations

3) **Integrating Insights:** Many experimental methods

Proteins, the building blocks of life, are notstatic entities; they possess a dynamic nature, akinfrom complex datasets.

into the fascinating world of proteins, employing

Our research spans a wide spectrum ofintriguing topics:

structural data gleaned from advanced experimental- **Protein Allostery:** Unraveling the mysteries of- **Molecular Dynamics Simulations:** Simulating thetechniques like X-ray Crystallography, cryo-electron

protein regulation.

dynamic dance of proteins at the molecular level.

microscopy, and small-angle X-ray scattering. Our- **Oligomerization and Biological Complex Assembly:**- **Normal Mode Analysis:** Probing the fundamental

mission? To model the myriad conformations these

Investigating the intricate dance of protein interactions.

modes of protein motion.

proteins can adopt in solution and, employing the- **Evolutionary Conservation of Structure and- **Deep Learning Approaches:** Leveraging the potential

principles of physics, simulate their flexible movements -Dynamics:** Exploring the ancient echoes within proteinof artificial intelligence for nuanced understanding.

their dynamics - deciphering the very essence of theirarchitectures.

- **Biomolecular Visualization and Animation:** Craftingfunctioning.

- **Proteins of Interest:** Delving deep into proteins likevisual narratives that illuminate the intricate world ofTIM Barrel fold proteins, PyrR, dihydrofolate reductase,proteins.

leukotriene alpha-4 hydrolase, and more.

- **Web-Based Tool Development:** Creating user-friendly

to any other object on Earth. At our laboratory, we delve- **Bioinformatics Tools:** Employing advanced tools
for sequence alignment and structure prediction.

interfaces for the broader scientific community.

Our approach is multifaceted, addressing theunique challenges posed by protein structures:
1) **Completing the Puzzle:** Protein structures often
present with missing information, requiring us to analyze
analogous structures to fill the gaps.
2) **Taming the Data Deluge:** Copious amounts of data
can overwhelm, necessitating innovative strategies. We
employ techniques such as simplifying their representation
through coarse-graining and utilizing methods like elastic
network model-based normal mode analysis, which do not

Join us on this expedition, where we unravel
the enigmatic world of proteins, one dynamic
movement at a time.

〒565-0871 大阪府吹田市山田丘3-2
大阪大学 蛋白質研究所
TEL：06-6879-4322

demand exhaustive details of their motions.
研究室のHPはこちら