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The E. coli toxin HipA is inactivated by phosphorylation, but the modified residue Ser150 is buried in the folded form. Pandey et al explore a molten globule-like intermediate that exposes Ser150, supporting an emerging model for PTMs at hidden sites. pubs.acs.org/doi/10.1021/ac…

A press release from DSTIndia highlights the research carried out at S.N. Bose National Centre for Basic Sciences. Team of Prof. Ranjit Biswas and Dr. Suman Chakrabarty elucidates the molecular mechanism of substrate promiscuity in the enzyme Laccase. Read here: pib.gov.in/PressReleasePa… DSTIndia chandra Srivari

Happy to share our recent publication on light harvesting in self-assembled nanotubes - now published in Chemical Science pubs.rsc.org/en/content/art…. Congrats Shubhra Kanti Bhaumik, PhD. Thanks j and his team for a great collaboration. We thank SERB for funding. #MyFirstChemSci

Just published nature New evidence from 70 years ago: Rosalind Franklin was a co-discoverer of DNA's double-helix structure by Matthew Cobb Nathaniel Comfort nature.com/articles/d4158…

Molecular Mechanism of Regulation of RhoA GTPase by Phosphorylation of RhoGDI biorxiv.org/cgi/content/sh… #bioRxiv

New artificial #light-#harvesting system using organic #nanotubes useful for solar cells, photocatalysis, #optical #sensors & tunable multi-color light emitting #materials . Dr Jitendra Singh chandra Srivari S.N. Bose National Centre for Basic Sciences IISER Kolkata 🔗dst.gov.in/new-artificial…

Congratulations j Da for ‘Best Teacher Award - 2023’ on the occasion of S.N. Bose National Centre for Basic Sciences foundation day. Many more to come!

The first step of learning computational biology is to learn unix commands. Get this FREE 6-page PDF with over 150 useful Unix commands! #unix #computationalbiology #bioinformatics buff.ly/3NO3uVt

And my daily routine: I wake up at 5 am. Get to the gym at 5:30 am. While working out, I listen to a science podcast for 1h. Have breakfast and respond to emails at 7:30 am. Reach to my lab at 8 am.  Work until 6 pm. Have a dinner at 7 pm. Read research reviews for 60

Thanks to Ruth Nussinov for bringing this exciting yet challenging problem to our attention. All the credits go to the hard work and patience of Amit Krishnendu Sinha. Thanks to SERB DSTIndia S.N. Bose National Centre for Basic Sciences for support. #compchem

Leveraging Bidirectional Nature of Allostery To Inhibit Protein–Protein Interactions (PPIs): A Case Study of PCSK9–LDLR Interaction JCIM & JCTC Journals Krishnendu Sinha Ipsita Basu Thanks to S.N. Bose National Centre for Basic Sciences SERB and Sarfez Cure for funding #compchem doi.org/10.1021/acs.jc…

WhatsApp message: This has been an election like no other. Why? 1) BJP is celebrating because they are forming Government. 2) Congress is celebrating because they closed in on 100 seats 3) Samajwadi party is

Leveraging Bidirectional Nature of Allostery To Inhibit Protein–Protein Interactions (PPIs): A Case Study of PCSK9–LDLR Interaction #MolecularDynamics #MSM pubs.acs.org/doi/10.1021/ac… Krishnendu Sinha Ipsita Basu j #JCIM Vol64 Issue9 #compchem

Congratulations j

⭐ Admission into the Ph.D. Programmes in Physical, Chemical & Biological Sciences ⭐ SNBNCBS, Kolkata invites applications with consistently good academic record to apply for admission into the Ph.D. Programme in Physical, Chemical & Biological Sciences for the academic year

Our "WeTICA" paper is finally out in The Journal of Chemical Physics. I am particularly excited about this work, because this is our first published foray into computational method development, particularly in the context of enhanced sampling of rare event processes. #compchem We have implemented a

Some #FEP history. I presented our ethane to methanol calculations at an NSF workshop in Spring 1985 that was attended by Martin Karplus and stat mech folks. Here is a subsequent letter from him and the first page of the draft of JCP 1985, 83, 3050. I sent him the preprint.

One order parameter to rule them all! Well, just two! 😉 Our "IceCoder" ML framework combines SOAP descriptors with variational autoencoder (VAE) to distinguish and track a large number of ice phases (and liquid water) in mixed phase MD simulation trajectories. JCIM & JCTC Journals

Martini 3 - IDP is out! Improved parameters for disordered proteins, great work from Liguo Wang: nature.com/articles/s4146…

My PhD student Krishnendu Sinha has successfully defended his thesis. It was a pleasure to have Prof. Biman Jana (IACS Kolkata) as the external examiner. The title of the thesis was "Computational Investigation of the Mechanism of Molecular Recognition and Signaling Processes in