iiinova — where your digital self keeps evolving

Nithin C @nithinaneesh.bsky.social · 20/03/2026

Our new paper in CSBJ is out! We used MD simulations and CABS-flex to show how IL1 receptor antagonists block signaling despite binding the exact same site as agonists. Instead of a static blockade, antagonists actively disrupt distal D3 domain dynamics. doi.org/10.34133/csb...

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Nithin C @nithinaneesh.bsky.social · 07/10/2025

𝗗𝗼𝗲𝘀 𝗺𝗼𝗹𝗲𝗰𝘂𝗹𝗮𝗿 𝗱𝘆𝗻𝗮𝗺𝗶𝗰𝘀 𝗶𝗺𝗽𝗿𝗼𝘃𝗲 𝗥𝗡𝗔 𝗺𝗼𝗱𝗲𝗹𝘀? This short video presents key findings from our latest paper. We asked when and why molecular dynamics helps (or fails to help) refine RNA structures. In this work, we share practical guidelines on how to use MD 𝗮𝘀 𝗮 𝗱𝗶𝗮𝗴𝗻𝗼𝘀𝘁𝗶𝗰 𝘁𝗼𝗼𝗹, 𝗻𝗼𝘁 𝗮 𝘂𝗻𝗶𝘃𝗲𝗿𝘀𝗮𝗹 𝗳𝗶𝘅𝗲𝗿.

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Nithin C @nithinaneesh.bsky.social · 18/09/2025

Excellent poster from #LCBio at #BIO2025 #Poznań on conformational dynamics of human 5S RNP interaction with MDM2. Using #MD and computational #peptide design, we explored how RPL11–MDM2 binding can be disrupted, linking #ribosome biogenesis to potential therapeutic strategies. #RNA #DrugDiscovery

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Nithin C @nithinaneesh.bsky.social · 18/09/2025

At #BIO2025 in #Poznań, the Nucleic Acid #Bioinformatics session brought together some fascinating talks on #RNA structure, regulation, and #AI-driven approaches to decoding complex biological data. Great to see diverse approaches and lively discussions on how they deepen our understanding.

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Nithin C @nithinaneesh.bsky.social · 18/09/2025

It is exciting to be at the 6th BIO Life Science #Congress of the #Polish #Biochemical #Society #BIO2025 in #Poznań. Outstanding talks on embryo plasticity, cell fate decisions, and the regulation of mRNA stability. An inspiring mix of science and discussions, and the atmosphere is excellent.

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Nithin C @nithinaneesh.bsky.social · 11/09/2025

It was great to be at the #Polish–#Korean #Conference in #Gdańsk. I shared our benchmarks of RNA #3D prediction #methods in the context of small-molecule #docking and drug design, and discussed our team’s recent work in #CASP16. #RNAprediction #CASP16 #DrugDesign #Bioinformatics #Conference

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Nithin C @nithinaneesh.bsky.social · 08/09/2025

Great talk by Prof. Sebastian Kmiecik at #Polish-#Korean #Conference in #Gdańsk on the new CABS-flex 3.0 release. The update brings powerful tools for exploring #protein and #peptide structural #flexibility, connecting #dynamic motions to #aggregation risk, #mutations, and functional regulation.

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Nithin C @nithinaneesh.bsky.social · 08/09/2025

Day 1 of Tenth Polish-Korean Conference on “Protein Folding: Theoretical and Experimental Approaches opened with talks on AI-driven molecular modeling, MD-enhanced sampling, and de novo protein design, showcasing cutting-edge approaches to explore and engineer biomolecular structures.

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Nithin C @nithinaneesh.bsky.social · 30/05/2025

New review in Drug Discovery Today: Modeling protein–protein interactions in the AI era 🔗 doi.org/10.1016/j.dr... AI is shiny. Biology is messy — flexibility, disorder, weak signals, big complexes. We map what’s working, what isn’t, and what’s next. #AlphaFold #StructuralBio #CompBio #DrugDiscovery

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Nithin C @nithinaneesh.bsky.social · 22/05/2025

Grateful to reach a milestone! Google Scholar says 1000 citations 🎈 Thanks to collaborators, mentors, and peers who’ve engaged with and built on our work. Onward! #RNA #ComputationalBiology #Bioinformatics scholar.google.co.in/citations?us...

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Nithin C @nithinaneesh.bsky.social · 25/12/2024

Merry Christmas 🤶🎄🎁🎊

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