Amal Vijay

Postdoc Researcher in Computational Biomedicine at FZJ Jülich | Fulbright Fellow at UC Irvine, USA | PhD Research Scholar at IISER Pune, India

[Lipi Thukral @Sci_Lipi]

My lab has turned 10 a few weeks back. Science matters but the best part is mentoring the young minds.

We celebrated this significant milestone by heading out on a safari and spotting 🐅! Grateful to work with fantastic minds 🙏

If you want to hear more about work and journey, sharing a little glimpse in #MeetPIseries

[Arnab Mukherjee @ArnabPune]

Happy to share our latest publication with @PrathithB on protein structure modification using a fixed set of mutations --AlphaMut: A Deep Reinforcement Learning Model to Suggest Helix-Disrupting Mutations | Journal of Chemical Theory and Computation https://t.co/tbm6OrEPb6

[Vojtech Spiwok 🇺🇦 @spiwokv]

#python version of https://t.co/8rSjz4kyqG (#metadynamics viewer for @plumed_org and more) out in Bioinformatics https://t.co/Ixjy69zrbq

[Amal Vijay @_amalvijay]

@DhimanRay16 All the best Dhiman 🙌

[Amal Vijay @_amalvijay]

@Deepak_Rase @ChemicalScience @ChemistryIISERP @IISERPune @RoySocChem @MHRD @IndiaDST @AFOSR Congratulations Deepak!

[Amal Vijay @_amalvijay]

@DhimanRay16 @uoCHandBIC Congratulations Dhiman! Well deserved

[Sudip Das @SudipDa09195612]

Looking forward to attending @cecamEvents @jncasr conference on #MD@60. Please visit my poster on #ML for #Enzyme #Catalysis.
@GroupParrinello @IITalk @jncbala
https://t.co/SjHbCCszCr

[Dhiman Ray @DhimanRay16]

Check out new work with @uraucci87 and @SudipDa09195612 from @IITalk: A new way of calculating kcat of enzymatic reactions using enhanced sampling methods like OPES/OPES-flooding without having to compute free energy surface or barrier height #compchem https://t.co/3eevVudV2s

[Rafeeque @rafeequemavoor]

3D illustration workshop for researchers!🎨🔬
Registration started! Enroll now! 👇
https://t.co/pBTjSzP5Zv

[Arnab Mukherjee @ArnabPune]

Happy to find out that our latest @PCCP article with @_amalvijay has been selected as 2023 HOT article. It is FREE to access now! Find it here: https://t.co/wu1WLe2zJS

[Amal Vijay @_amalvijay]

Glad to share our work published in @PCCP supporting the RNA-based hypothesis on the origin of homochirality. We show how the chirality of arginine induces RNA hairpin dynamics by combining umbrella sampling & PBMetaD simulations.
https://t.co/5HQMEI4ItL
@ArnabPune @IISERPune

[Amal Vijay @_amalvijay]

@sou_svk @JCIM_JCTC congratulations

[Arnab Mukherjee @ArnabPune]

Almost 5 years of effort to build a de novo drug generation program finally put to good use in finding new molecules and drugs for spike protein inhibition of SARS-Cov-2 (responsible for Covid-19). See the manuscript for more detail. (https://t.co/bdSXVOLWSe).