
Suman Chakrabarty
@SumanPhysChem
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Faculty@SNBNCBS, Kolkata. Computer simulation enthusiast. Loves theater, film, music, programming, travel, photography, food in no particular order.
Kolkata, India
Joined August 2009
🚀 Registration is now OPEN for SMCB-2025! 📍 TIFR Hyderabad | 🗓️ 17–19 Dec 2025 Students/postdocs ( limited slots at reduced fee) can register now for SMCB-2025 featuring stellar line-up of speakers, poster sessions & student-focused mini-workshops 🌐 https://t.co/3251Rjwkdh
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Our recent paper on "A model of protein folding with multiple native states: Metamorphicity, intrinsic disorderness, and folding upon binding of proteins" now published in JCP https://t.co/9ljKikZlhz. Please have a look. Your critical comments are much appreciated.
pubs.aip.org
The sequence–structure–function paradigm in biology states that a protein’s amino acid sequence determines its unique folded state structure, which in turn dict
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In 2023, we published this article on our ufedmm branch of openMM implementing enhanced sampling techniques: https://t.co/O4xQFGYpgv . We are now organizing a tutorial for late August on how to use these tools. If you're interested, please apply here: https://t.co/IAywYgig1J
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Dr. Shivkumar Kalyanaraman @shivkuma_k, CEO, @ANRFIndia, interacted with directors from 16 premier institutions at @snbkol, Kolkata, sharing ANRF’s vision for collaborative, interdisciplinary research. Together for India’s research future! #ANRFIndia #ScientificCollaboration
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Our effort to uncover allosteric hotspot and pathways in proteins. Correlations among Hydrogen Bond Fluctuations in the Apo State Are Enough to Reveal Allosteric Networks in Proteins | The Journal of Physical Chemistry B
pubs.acs.org
Allostery is essential for regulating biochemical pathways, where the binding of a ligand at one site influences enzymatic activity at a distant functional site. Identifying allosteric sites and...
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Our development of machine-learned transferable coarse-grained models in now on Nat Chem! https://t.co/HGngd8Vpop I am so proud of my group for this work! Particularly first authors Nick Charron, Klara Bonneau, @sayeg84, Andrea Guljas.
nature.com
Nature Chemistry - The development of a universal protein coarse-grained model has been a long-standing challenge. A coarse-grained model with chemical transferability has now been developed by...
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Today in the journal Science: BioEmu from Microsoft Research AI for Science. This generative deep learning method emulates protein equilibrium ensembles – key for understanding protein function at scale. https://t.co/WwKjj5B0eb
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Felt honoured and humbled to receive the 2025 Bronze Medal of the Chemical Research Society of India (CRSI) and deliver the award lecture at the 35th CRSI National Symposium in Chemistry organised at IIT Gandhinagar. It was an exciting event that brought together chemists from
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This is wild! Engineering E. coli bacteria to turn plastic waste into paracetamol (Tylenol) @NatureChemistry
https://t.co/Yvx3aFCNgG
https://t.co/fWyahy38OE
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Complex Fluid 2025 meeting announcement, @iiscbangalore campus. Also, do not forget to register for the pre-conference workshops. Gaurav Tomar (MechEngg) and I are putting together the "Computation and Modelling of Complex Fluids" hands-on modules for students/trainees.
We’re pleased to share that CompFlu 2025 will be held at IISc Bangalore from December 13–17, 2025. The pre-conference workshop is scheduled for December 13–14, followed by the main conference from December 15–17. #compflu2025 @iiscbangalore
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For a long time, researchers were waiting for the call of the erstwhile SERB's PI-driven Core Research Grant. The wait is finally over. ANRF now announces a much better and restructured version with more flexibility and enhanced funding. The Advanced Research Grant (ARG) call
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⭐️New Article Alert: Prof. Arunan reflects on deeply rooted cultural norms and academic power structures that often enable bullying and suppress equity in Indian institutions: https://t.co/HANl1ysISY
@earunan @joshiamitabhevo @Abhadra7
@Shubawrite @SumanPhysChem @Pavan_KumarGV
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📢#ANRFIndia invites proposals under ARG MATRICS for high-impact Mathematical, Theoretical & Quantitative Social Sciences 🗓️ Application Period: 12 June – 07 July 2025 🔗 For more, visit: https://t.co/G7BesoB5gb
#researchgrant
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SNBNCBS Kolkata is going to organize a 3-day (June 18 - 20, 2025) intensive workshop on introduction to High Performance Computing (HPC), parallel programming etc. Please register if you are interested. Registration Deadline : June 10, 2025 Visit for more details:
🚀 Announcement - 3-Day Workshop on High Performance Computing (HPC) Technologies! at SNBNCBS, Kolkata 🚀 📅 Date: 18th–20th June 2025 📍 Venue: SNBNCBS, Kolkata 🔹 What’s in it for you? ✔ Hands-on training in parallel computing, GPU programming (CUDA), OpenMP, MPI, AI/ML,
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@ANRFIndia announces call for Proposals under Advanced Research Grant (ARG) and scheduled to open from June 12, 2025. The call details can be accessed in the following link (https://t.co/uN9tOyY2Ij)@IndiaDST @shivkuma_k @PrinSciAdvOff @karandi65 @PrinSciAdvGoI @Dipti_K_Thukral
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EVOLVE: A Web Platform for AI-Based Protein Mutation Prediction and Evolutionary Phase Exploration https://t.co/xT5bKIlmnC
@satyam_san20 @AnushreeSinha18 @susmitajanaroy @dcsiiserkol @iiserkol
#JCIM Vol65 Issue9 #MachineLearning #DeepLearning
pubs.acs.org
While predicting structure–function relationships from sequence data is fundamental in biophysical chemistry, identifying prospective single-point and collective mutation sites in proteins can help...
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Exciting opportunity for aspiring researchers! S. N. Bose National Centre for Basic Sciences, Kolkata, has launched its Ph.D. & iPh.D. 2025 Admission Portal. Apply now: https://t.co/iza0lSS0Qw Deadline: 18 May 2025 For Details Visit: https://t.co/IIIUYjmFQ0 Don't miss your
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🚀 Introducing the PARAMRUDRA BOSON National Supercomputing Facility (NSF) – Powering the Future of Research! The S. N. Bose National Centre for Basic Sciences (SNBNCBS), Kolkata, is proud to unveil the National Supercomputing Facility (NSF)—a cutting-edge research hub designed
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