Prathit Chatterjee @prathit2004

Researcher in structure, dynamics and thermodynamics of intrinsically disordered proteins responsible for neurodegenerative diseases. scholar.google.com/citations?user… Hyderabad, India Joined October 2010

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Prathit Chatterjee @prathit2004

a month ago

Interested people can apply to the provided email address for an internship involving MD simulations, applicable in the domain of protein-ligand binding affinity.

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Prathit Chatterjee @prathit2004

3 months ago

Our recent blog on India-data platform on the relevance of our curated largest dataset on protein-ligand binding affinity, from physics-based simulations, and on its corresponding impact in predictive modeling, in the context of data-driven-drug-discovery. blogs.india-data.org/the-plas-20k-s…

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Srijit Mukherji @srijitspeaketh

5 months ago

Some typos need to be avoided in media reports. Innocent Hindu civilians, not innocent civilians. Brutal Islamic terrorism, not brutal terrorism.

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Prathit Chatterjee @prathit2004

a year ago

sciencedirect.com/science/articl… A brief review on the applications of Generative Artificial Intelligence (GenAI) in small molecule drug design, includes the background, applications, molecular designs, datasets and model architectures.

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TIFR Hyderabad @TIFRH_buzz

a year ago

(9/n) Hyderabad Soft Matter Day, 2024 Venue: TIFR Hyderabad

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TIFR Hyderabad @TIFRH_buzz

a year ago

(3/n) @prathit2004 (@iiit_hyderabad) discussed his approach towards developing protein-ligand binding affinity datasets that take into account the dynamic interactions of these complexes. He uses these datasets to train ML models that could potentially aid in drug discovery.

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Prathit Chatterjee @prathit2004

a year ago

Interested people with strong aptitude in research, and willing to pursue career in data driven drug discovery in future, can apply.

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Prathit Chatterjee @prathit2004

a year ago

x.com/prathit2004/st… The datasets corresponding to our publication (PLAS-20K, shared in an earlier post), publicly available: healthcare.iiit.ac.in/d4/plas20k/abo… People can download the trajectories and corresponding binding affinity as per requirement. @deva_priyakumar @IHUB_Data

Prathit Chatterjee @prathit2004

2 years ago

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Prathit Chatterjee @prathit2004

a year ago

Today at the University of Hyderabad, for one of collaborative students' (in Devalab) masters thesis presentation

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Prathit Chatterjee @prathit2004

2 years ago

Thanks for the opportunity from my current boss, three works in which I am part of (one direct work, one co-mentoring, one collaboration), have been showcased in the R&D showcase exhibition this weekend. Got a few insights in improving ML model with pharmaceutical properties..

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Prathit Chatterjee @prathit2004

2 years ago

With Prof Mark Tuckerman and my PhD supervisor at MD@60.

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Prathit Chatterjee @prathit2004

2 years ago

PLAS-20K, currently online.. nature.com/articles/s4159…

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Prathit Chatterjee @prathit2004

2 years ago

A memorable conversation with Prof. Peter Coveney, while he came to IIIT for giving a talk on his recent AI-related research topic on "DIGITAL TWINS". My project on benchmarking forcefields can be extrapolated to the initiative taken by him and other peers on "Open Force Field".

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Prathit Chatterjee @prathit2004

3 years ago

About a month back in SNU @ Seoul National University instagram.com/p/CmTZ6lNhXuA/…

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Prathit Chatterjee @prathit2004

3 years ago

Mystical environment, beauty and Shrine, was blessed to visit on Mahashtami Day🙏🌼💛 @ Cheongpyeongsa Temple instagram.com/p/CjTD7QyBrMd/…

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Prathit Chatterjee @prathit2004

3 years ago

nature.com/articles/d4158…

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Prathit Chatterjee @prathit2004

3 years ago

Mountain hiking at Chuncheon, Kyumbyup Mountain, 652 m. Almost 12 Km walking exercise.. 💛😀 @ Chuncheon instagram.com/p/CfP_GeUhYIH/…

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Prathit Chatterjee @prathit2004

3 years ago

Today, at dusk.. 💛 @ Chuncheon instagram.com/p/Cegx0KihlO2/…

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Prathit Chatterjee @prathit2004

3 years ago

pubs.acs.org/doi/abs/10.102… A recent NMR study published in JACS, categorizing the different categories of interfacial water molecules embedded within the lipid headgroups.