
ARNAB MUKHERJEE LAB
Indian Institute of Science education & Research, Pune

Ph. D. positions are available for students motivated to do computational research in chemical and biological physics.
About us
RECENT
2022
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Sreyas's work Published in Angewandte Chemie Electrostatically Directed Long-Range Self-Assembly of Nucleotides with Cationic Nanoparticles to Form Multifunctional Bioplasmonic Networks https://doi.org/10.1002/anie.202203924
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Abhijit succesfully defended his PhD thesis
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Amal is nominated as principal candidate for Fulbright-Nehru Doctoral fellowship award 2022 -2023
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Reman's paper got accepted at JPCB “Molecular mechanism of Dual Intercalation in Sac7d-DNA Complexation” (in press)
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Our collaborative work got accepted in the Organic and Biomolecular Chemistry journal “Bis(cholyl)-based chloride channels with oxalamide and hydrazide selectivity filters” (in press) https://doi.org/10.1039/D1OB02028E
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The first paper in machine learning from our group got published in the Cell Press journal Patterns “Accurate Prediction of B-form/A-form DNA Conformation Propensity from Primary Sequence: A Machine Learning and Free energy Handshake” Patterns (in press)




RESEARCH INTERESTS
* Single water entropy
* Protein DNA intercalation
* Origin of internal friction
* DNA Drug Recrossing
* Origin of azeotrope mixture
* Drug Design
* Conformation change in prior protein
* Bending Mechanism of organic crystals
* Curvature of Biological Macro molecules
* DNA conformation using Machine learning
Research Efforts at IISER Pune against COVID-19
Our work on COVID-19
Atomistic de-novo inhibitor generation guided drug repurposing for SARS-CoV-2 spike protein with free energy validation by well-tempered metadynamics
