I'm happy to share our recent publication in International Journal of Biological Maceomolecules.
We have explored the role of inter-domain dynamics and allostery in human NXF1 binding with viral CTE-RNA. Thanks to @DBTIndia and @IITKgp for funding.
https://t.co/hoN2rZGDdl
My first article from @IITKgp. This unsolicited review explores conformational switching in protein-RNA complexes and their roles in neurodegenerative diseases. The image is just a visual representation of the topic.
https://t.co/LIycizudRo
I have started working as project scientist in the Dept. of Biotechnology of @IITKgp. I will be working on exploring the dynamics of biomolecular interactions along the gene regulation pathway.
Glad to share our recent publication from @Chakrabarti_Lab on the antimicrobial activities of two different classes of antimicrobial peptides on the bacterial membrane in collaboration with Prof. Ashutosh Kumar from @BsbeIitb
https://t.co/2UxUKOMKJc
What determines the shape of a bacterial colony growing in 3D? 🦠 We addressed this question using experiments, theory, & simulations—which jointly reveal that dense bacterial colonies undergo a morphological instability as they grow.
Read more at https://t.co/MebfJYFz1x! (1/9)
Just out from @Chakrabarti_Lab with @ASHACHOUDHURY1@atanuchem48 and Sayantani Chakraborty: Computational design of peptide therapeutics against SARS-CoV-2. https://t.co/pzjPzfXTQH
Just appeared in @softmatter How activity and stickiness interplay and affect the dynamics of a tagged active particle inside a narrow channel, grafted with polymers, mimicing the central plug NPC. A recent study from our group. https://t.co/JMs0LMxBex
@Chakrabarti_Lab
We are excited to release Enhanced Sampler to setup simulations with various collective variables and enhanced sampling methods #compchem
https://t.co/FErFRyVIIv
Happy new year! 🎈For us it has started with a new paper by Lena, Anne & co, together with @lab_baum, on Physical mechanisms of ESCRT-III–driven cell division, in @PNASNews: https://t.co/M0ZerLcoKy. @UCL_IPLS@LMCB_UCL@uclmaps
New preprint from @Chakrabarti_Lab with @ASHACHOUDHURY1 on computational design of peptide therapeutics against SARS-CoV-2. The binding of stapled peptides derived from hACE2 with RBD of SARS-CoV-2 has been studied to predict a potential therapeutic.
https://t.co/LtKhtSlVTq
It's worth reflecting on all that @JorgensenWL has done for our community! 10 years as EIC of @JCIM_ACS and 17 years as founding EIC of JCTC. It is no surprise that both are at or near the top in the field. Thank you @JorgensenWL for all you have done for COMP Chem!