Postdoc Researcher in Computational Biomedicine at FZJ Jülich | Fulbright Fellow at UC Irvine, USA | PhD Research Scholar at IISER Pune, Indiaamalvijay.info JülichJoined April 2020
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 pubs.acs.org/doi/full/10.10…
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 #compchemchemrxiv.org/engage/chemrxi…
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.
doi.org/10.1039/D3CP00…@ArnabPune@IISERPune
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. (doi.org/10.26434/chemr…).
58 Followers 155 FollowingPhD scholar, Chemical engineering, Indian Institute of Science, Bangalore. Works with Molecular Dynamics simulations to study Bacterial Membranes and Proteins
2K Followers 7K Following#PeerReview #OpenAccess journal by @MDPIOpenAccess, for crystalline material research, including liquid crystals and biomolecular crystals. IF 2.4 (2024)
202 Followers 900 FollowingJunior Research Fellow @AdhesionLab | BS-MS @IISERPune
Exploring life via science, art & beyond!
'Views?? Let's view them together with the same lens. 🔬🖌️'
1K Followers 1K FollowingPost-doctoral fellow at @IRBBarcelona (@orozco_lab). Running Gromologist, Molywood, and the Phase Space Invaders podcast. 🇵🇱❤🇺🇦
1K Followers 2K FollowingWe are an enthusiastic group of researchers in cancer bioinformatics and cancer structural biology. Our homes are at DCRC and DTU Health Tech (DK)
218 Followers 332 FollowingAssistant professor (computational physics),
head of BioInterfaces group @Physics_TAU @TampereUni
Title of Docent @helsinkiuni, formerly @IOCBPrague @BIOTECH_U
1K Followers 1K FollowingGroup Leader of the 'Photon Harvesting in Plants and Biomolecules' group @ICFOnians | Ultrafast spectroscopy | MD simulations @nikinikki87.bsky.social
552 Followers 2K FollowingBringing ML-AI into materials discovery / #compchem by heart previously #AvH fellow @upb and PhD @upc/ Diving into the #altac life
9K Followers 7K FollowingChanging drug discovery one ratio of partition functions at a time.
Heading up antiviral discovery for pandemics: https://t.co/uN4XpX1mjt
https://t.co/YAg9PBYuBl
1K Followers 2K Following💻 🧬 3D genome & RNA lovers Group Leader at Center for Human Technologies, Italian Institute of Technology | CDA @ArmeniseHarvard
538 Followers 602 FollowingAssistant professor at NCU. Developing methods for atomistic simulations. Building a research group!
Before: @AIST_EN, @CompBioPhys and @GroupParrinello.
155K Followers 421 FollowingCSIR is one of the largest and most diversified publicly funded scientific and industrial research organisations in the world.
578 Followers 1K FollowingComputers|ML|AI in Chemistry| Dean Global Partnership and Innovation @ St Berchmans College, Changnassery, India|Associate Professor, Dept of Chemistry
392 Followers 486 FollowingPhD Student in Bioinformatics. Interested in Machine Learning, Genetics and Protein Design. All opinions/views are my own. #FirstGen 🧬
58 Followers 155 FollowingPhD scholar, Chemical engineering, Indian Institute of Science, Bangalore. Works with Molecular Dynamics simulations to study Bacterial Membranes and Proteins
199K Followers 662 FollowingDST, Govt of India, was established with objective of promoting new areas, policies & programs related to Science, Technology & Innovation.
https://t.co/7gCaHSN211
274 Followers 198 FollowingAccount of the Neudecker group (Theoretical Chemistry @UniBremen). Not run by Tim himself. Views do not necessarily reflect the opinions of @UniBremen.
5K Followers 1K FollowingSenior scientist @ccmb_csir | Neurobiologist leading a team that’s unpacking the molecular basis of why some axons regenerate better than others | #SCI research
110K Followers 273 FollowingThe Department of Biotechnology, Ministry of Sc & Tech, Govt of India supports research, its applications and education in the Life Sciences and Biotechnology.
63 Followers 14 FollowingA multidisciplinary institution in India committed to nurturing future leaders. Its curriculum combines academic rigour with industry relevance.
3K Followers 649 FollowingGateway for Indian researchers across the globe to access professional opportunities in India across academic/private sectors
USA based non-profit organization
621 Followers 411 FollowingAssistant Professor, IISc Bangalore and Head, Max-Planck Partner Group of MPI-KOFO. Previously: @EMBOFellows @Stockholm_Uni @maxplanckpress @iiserbhopal
462 Followers 610 FollowingAssistant Professor @ University of North Dakota. Research interests span quantum chemistry and quantum computing. Views are my own. #NewPI
3K Followers 202 FollowingAs of March 2025, we’ve wrapped up our activities here and moved to Bluesky. Follow us at https://t.co/EA5T8knBTY to stay connected!
125 Followers 229 FollowingPhD student at Heidelberg Institute for Theoretical Studies (@HITStudies) and the Max Planck School @mattertolife |
Active in university debating @DCHeidelberg
882 Followers 671 FollowingChair of Theoretical Chemistry @tudresden_de of prof. @ThomasHeine14 with @DorotheaGolze Emmy-Noether and Rico Friedrich @DRESDEN_concept junior groups
16K Followers 580 FollowingScientist (PI). Doing fundamental research in #Materials and #Electrochemistry. Ex-PSI. Ex-Stanford. Run a Podcast (on Youtube).
2K Followers 3K FollowingAI/ML for proteins, small molecules, and everything in between. Scientist @AtomwiseInc. (she/her) 🌈 Previously: UCSF, Columbia, DE Shaw Research, MIT.
221 Followers 168 FollowingResearch group of Multiscale Simulations for #Chemistry and #MaterialsScience @uninaIT - PIs: @quantumpeacock & @anitachemwalker - Account run by group members
1K Followers 510 FollowingScientist, biophysics, protein folding/aggregation in human diseases, author-reviewer-editor, annoyingly extrovert, views are personal
670 Followers 908 FollowingChemical Eng, PhD.
Comp. Biophysicist: biomembranes modeling in mechanisms of disease. Views are my own
#STEM #minoritiesinscience #womeninscience #workingmom