Prathit Chatterjee

Researcher in structure, dynamics and thermodynamics of intrinsically disordered proteins responsible for neurodegenerative diseases.

[Prathit Chatterjee @prathit2004]

Our recent work demonstrates the importance of physics-informed dynamic information into NN based binding affinity prediction: how physics-informed data can improve the predictive AI capabilities for drug discovery.
https://t.co/j6kDRImXcc

[Prathit Chatterjee @prathit2004]

@sayani06 Onek to holo. Ebare ektu baaje boka bondho korun..

[Prathit Chatterjee @prathit2004]

Our work on charge density–based ML of antimicrobial peptides accepted in Chemical Communications
Reveals distinct mechanisms—from intracellular targeting to membrane disruption—guiding rational AMP design - A co-correspondence milestone (third overall).
https://t.co/55BL4bTn6b

[Prathit Chatterjee @prathit2004]

Xu et al. (3) report an unexpected role for sensory nerves in bone healing, providing insights into communication between the nervous system and the cells responsible for bone repair. https://t.co/rE5xBg24Bi

[Prathit Chatterjee @prathit2004]

Presented my work in the MCBR 2025 conference, thanks to my current boss.
--
Interacted with Prof. G. N. Sastry, Dr. Madhavi Sastry, Prof. Hendrik Zipse, Prof. Holger Gohlke, Prof. Peter Camba, Prof. T. Dinadalayane, Prof. Susanta Mahapatra.

[Prathit Chatterjee @prathit2004]

Check out our recent published blog in close collaboration with AWS, Intel, and Insilico Medicine, on a parallel ultra-large dataset of protein-ligand complexes and corresponding binding affinity.
https://t.co/sKHWDxuvaq

[Prathit Chatterjee @prathit2004]

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

[Prathit Chatterjee @prathit2004]

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.
https://t.co/INMUelNF1B

[Srijit Mukherji @srijitspeaketh]

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

[Prathit Chatterjee @prathit2004]

https://t.co/7OvLhdbvRl
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.

[TIFR Hyderabad @TIFRH_buzz]

(9/n) Hyderabad Soft Matter Day, 2024

Venue: TIFR Hyderabad

[TIFR Hyderabad @TIFRH_buzz]

(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.

[Prathit Chatterjee @prathit2004]

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

[Prathit Chatterjee @prathit2004]

https://t.co/RvsvqbTLbq

The datasets corresponding to our publication (PLAS-20K, shared in an earlier post), publicly available: https://t.co/24CbyBhkQs
People can download the trajectories and corresponding binding affinity as per requirement.
@deva_priyakumar
@IHUB_Data

[Prathit Chatterjee @prathit2004]

PLAS-20K, currently online..

https://t.co/9GGgU6jcy0

[Prathit Chatterjee @prathit2004]

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

[Prathit Chatterjee @prathit2004]

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..

[Prathit Chatterjee @prathit2004]

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

[Prathit Chatterjee @prathit2004]

PLAS-20K, currently online..

https://t.co/9GGgU6jcy0

[Prathit Chatterjee @prathit2004]

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".

[Prathit Chatterjee @prathit2004]

About a month back in SNU @ Seoul National University https://t.co/gOZdx3NO4f