Computational Biophysicist.
Bengaluru
Joined February 2011
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Antarip Halder retweeted
đź“Ť Aganitha AI at GRC2026
Chanukya Nanduru will be presenting a poster at the Gordon Research Conference (GRC) AIMECS 2026, showcasing real-world case studies that demonstrate how #AgenticAI delivers measurable impact across R&D workflows.
ALT Aganitha presents poster on: Beyond the Hype - Agentic Al for Translational R&D By: Chanukya Nanduru Aganitha.ai At: AI for Materials, Energy, and Chemical Sciences Gordon Research Conference Autonomous Discovery Across Scales Date: Thursday, 5th February 2026 Time: 04:00 PM - 06:00 PM Venue: Grand Galvez, 2024 Seawall Boulevard, Galveston, Texas, United States
Antarip Halder retweeted
Selective Activation of GPCRs: Molecular Dynamics Shows Siponimod Binds but Fails To Activate S1PR2, Unlike S1PR1 #MolecularDynamics #GPCRs
pubs.acs.org/doi/10.1021/acs…
@AntaripHalder @AganithaAI
#JCIM Vol65 Issue24 #compchem
Antarip Halder retweeted
✨ Unearthing the Gold Dust of Mechanistic Insight With Deep Tech✨
🧪 We show this in our recently published ACS @JCIM_JCTC paper, elucidating the mechanistic basis by which Siponimod, a drug for #multiplesclerosis (MS), avoids off-target activation.
pubs.acs.org/doi/10.1021/acs…
Antarip Halder retweeted
The article on Selective Activation of GPCRs using Molecular Dynamics simulations, published in #JCIM, aims to decode the mechanistic basis of Siponimod’s differential activation behavior across S1PR1 and S1PR2: go.acs.org/dD7
Antarip Halder retweeted
We're #hiring for multiple roles in our Computational Chemistry team at Aganitha (Hyderabad, India).
ALT Aganitha is hiring computation chemistry researchers. Apply at https://www.aganitha.ai/careers/
Antarip Halder retweeted
🔬 DISTILLing Complex Biology in the #SingleCell & #AgenticAI Era
Why should single cell #omics analysis still take months, even in 2025?
In this video, Ananya Jana explains the core challenges single cell researchers face today and how DISTLL™ accelerates journey to insights.
Antarip Halder retweeted
LNPs are transforming #RNA therapies. At Aganitha, we fuse data-driven #AI models with physics-based molecular dynamics (#MD) simulations to accelerate and enhance LNP design.
aganitha.ai/science-focus/li…
Antarip Halder retweeted
At Aganitha, we are applying deep tech to learn from & build on the datasets generated by deep science.
Happy to share a preprint describing how we used #GenAI to improve design of blood-brain-barrier (#BBB) penetrating #AAV viral vectors for gene therapies in brain disorders.
Learning from and improving upon high-throughputscreens for protein fitness with Generative AI - Application to BBB-crossing AAV design biorxiv.org/cgi/content/shor… #biorxiv_bioinfo
Antarip Halder retweeted
🔍 PROTACs are opening new avenues for targeting previously “undruggable” targets by harnessing the cell’s own protein degradation machinery. We're excited to share our solution for De Novo #PROTAC Design with #GenAI & #FBDD.
đź”— Know more from our blog at
aganitha.ai/blogs/de-novo-pr…
Antarip Halder retweeted
Fully Flexible Molecular Alignment Enables Accurate Ligand Structure Modeling
pubs.acs.org/doi/10.1021/acs…
#JCIM Vol64 Issue15 #Bioinformatics
Great work! We, @AganithaAI, also explored the use of predicted structures in SBDD & encountered similar challenges. Refining AF2-predicted/experimental structures is crucial to address conformational issues like side chain placement and occluded pockets.
aganitha.ai/blogs/target-elu…
Antarip Halder retweeted
Delighted to share results from our Molecular Dynamics (MD) simulations investigating why Siponimod, a FDA-approved drug for relapsing forms of Multiple Sclerosis, activates its GPCR target, S1PR1 but not S1PR2, an off-target from the same family.
🧵👇
biorxiv.org/content/10.1101/…
Antarip Halder retweeted
Selective Activation of GPCRs: Molecular Dynamics Investigation of Siponimod's Interaction with S1PR1 and S1PR2 biorxiv.org/cgi/content/shor… #biorxiv_biophys
youtu.be/HWrrlwRpt34?si=iPF6…
While recording this episode we were blown away by the humour, honesty and humility of our guest Suman Sarkar . We talked about #schoollife #hostellife #writing #publishing #bengaliculture #serialkiller and much more.
#bengalipodcast #newepisode
Antarip Halder retweeted
Check out our latest work. We tried to address the fundamental question - how do cations find specific binding sites on RNA? Does the RNA backbone play any role in site-specific cation condensation? @AntaripHalder
biorxiv.org/content/10.1101/…
Antarip Halder retweeted
For my latest attempt at introducing proteins to students, I made a Google Colab Notebook that predicts proteins from a single sequence. I asked the students to tweak the sequence to get a helix or two helices or... (1/5)
colab.research.google.com/gi…
Antarip Halder retweeted
Today at 5:30 PM Indian Standard Time. Jiri Sponer will speak on "The fascinating world of nucleic acids revealed by state of the art computations".
Jiri Sponer, coming Tues, July 13, 5:30 PM IST (2 PM CET, 8AM ET) for the monthly "Integrative Modeling in Biophysics" series. Talk title: “The fascinating world of nucleic acids revealed by state of the art computations”. Register here if you are new. mbu.iisc.ac.in/IMSS/index.ht…
It's fascinating that this is finally published. Congratulations to the team!
On the Nature of Nucleobase Stacking in RNA: A Comprehensive Survey of Its Structural Variability and a Systematic Classification of Associated Interactions pubs.acs.org/doi/10.1021/acs…
How #RNA selectively binds to specific metal ions like magnesium? Atomistic #MolecularDynamics simulations unravel crucial contribution of metal ion coordinated water molecules in the process.
Check out our recent article published in #JCTC.
pubs.acs.org/doi/abs/10.1021…
Congratulations Prof. Priyakumar (@deva_priyakumar)! Proud moment for @iiit_hyderabad .
Drs G. Brahmachari of @visva_bharati, Vinod Tiwari of @vcofficebhu, U. D. Priyakumar of @iiit_hyderabad along with others have been chosen to receive the CRSI Bronze Medal of 2021. This honor is given to young researchers who have done well in Chemistry. Congratulations!