Reposted by Mohamed ShehataDr. Fiona @fionachembot.bsky.social · 01/04/2025LOOK AT THIS PHENOMENAL WORK BY Mo and Lorenzo!! <3 great work to them!! 182
Reposted by Mohamed ShehataCompBioPhys @compbiophys.bsky.social · 01/04/2025🧐 Are you a computational physicist and expert in probability theory? 👉 Contribute to our project "Theory and Algorithms for Structure Determination from Single Molecule X-Ray Scattering Images" as PhD student or Postdoc! 🔗 Check our job advert for more details www.mpinat.mpg.de/4988122/09-2... 0119
Reposted by Mohamed ShehataCarolyn Bertozzi @carolynbertozzi.bskyverified.social · 29/03/2025Another epic #glycotime accomplishment from @rommieamaro.bsky.social and coworkers @UCSD 1397
Reposted by Mohamed ShehataRommie Amaro @rommieamaro.bsky.social · 28/03/2025✨✨ It's #glycotime for #HIV Env ✨✨ N-linked glycans modulate flexibility & MPER epitope exposure #glycotime Huge effort by @shehata92.bsky.social @lcasalino88.bsky.social with cryoET of Env in VLPs by @thevillalab.bsky.social & team 💪 Would love feedback! www.biorxiv.org/content/10.1... 614431
Reposted by Mohamed ShehataBriggs Group @briggsgroup.bsky.social · 28/02/2025Mature #HIV-1 contains >2000 copies of “spacer peptide 2”, but we didn’t know why. We now see that SP2 binds the matrix protein and triggers the change into its mature arrangement. Summary video from @margotriggi.bsky.social 113657
Mohamed Shehata @shehata92.bsky.social · 23/02/2025The letter count here is frustrating but this some my after dinner espresso thoughts today! 010
Mohamed Shehata @shehata92.bsky.social · 15/02/2025Roses are red , roses are blue , depending on their velocity relative to you. Happy Valentine's Day 000
Mohamed Shehata @shehata92.bsky.social · 12/02/2025“Injustice anywhere is a threat to justice everywhere” -Martin Luther King 000
Reposted by Mohamed ShehataDenis Wirtz @deniswirtz.bsky.social · 12/02/2025"NIH admit freezing is illegal, will resume issuing grants" popular.info/p/breaking-n...popular.infoBREAKING: NIH admits funding freeze is illegal, will resume issuing grantsAn internal memo issued February 12 was obtained by Popular Information. 013433
Reposted by Mohamed ShehataRommie Amaro @rommieamaro.bsky.social · 10/02/2025Attorneys general argue that the NIH’s new policy violates the Administrative Procedure Act & ignores congressional powers by retroactively modifying existing contracts that set IDC rate between the federal government & research institutions www.statnews.com/2025/02/10/n... 181
Reposted by Mohamed ShehataGiulia Palermo @giuliapalermo.bsky.social · 08/02/2025New paper from our lab @naturecomms.bsky.social! We reveal the dynamics and mechanism of target DNA traversal in #CRISPR Cas12a, a conundrum in the field! nature.com/articles/s41... #compchem We thank the amazing #HPC resources of PSC #Anton2 and SDSC 3459
Mohamed Shehata @shehata92.bsky.social · 10/02/2025www.statnews.com/2025/02/08/n...statnews.comThe NIH’s drastic cut to indirect cost rates is a critical threat to U.S. research infrastructureThe drastic reduction in indirect costs is not a path to innovation or cost savings — it’s a threat to U.S.’s position as global leader in medical research. 000
Mohamed Shehata @shehata92.bsky.social · 02/02/2025Today marks 3 years of postdoc—‘Somewhere, something incredible is waiting to be known.’ Here’s to more discoveries, coffee, and data crunching... mostly the coffee.😀 🚀☕💻 #PostdocLife #compchem 020
Reposted by Mohamed ShehataRommie Amaro @rommieamaro.bsky.social · 17/01/2025Awesome mixed resolution simulation supporting amazing structural work 😍 Congrats to @becklab.bsky.social and @hummerlab.bsky.social ! www.cell.com/cell/fulltex...cell.comPassage of the HIV capsid cracks the nuclear poreCone-shaped HIV-1 capsids with largely intact lattices accumulate at and pass through nuclear pores in primary human macrophages. The nuclear pores can crack open upon passage of the HIV-1 capsid, pos... 0203
Mohamed Shehata @shehata92.bsky.social · 15/01/2025I had a meeting with RMSD and RMSF and they were very mean😃 #compchem 020
Mohamed Shehata @shehata92.bsky.social · 10/01/2025The concept of entropy never fails to amaze me. 020
Reposted by Mohamed ShehataMartin Vögele @martinvoegele.bsky.social · 08/01/2025Cryptic pockets are hidden binding sites in proteins that are not visible in their standard ("apo") structure and only stable in the presence of the right ligand. Here, Bemelmans et al. review how scientists use computer algorithms to detect them. www.sciencedirect.com/science/arti... 🧪 #CompChemsciencedirect.comComputational advances in discovering cryptic pockets for drug discoveryA number of promising therapeutic target proteins have been considered “undruggable” due to the lack of well-defined ligandable pockets. Substantial r… 25011
Reposted by Mohamed ShehataJanet Iwasa @jiwasa.bsky.social · 07/01/2025I'm happy and humbled to take on a new role with @rcsbpdb.bsky.social. I'll be continuing David Goodsell's work on the Molecule of the Month, starting with my first article on Assembly Line Polyketide Synthases! Check it out (animation included!) pdb101.rcsb.org/motm/301pdb101.rcsb.orgPDB101: Molecule of the Month: Assembly Line Polyketide SynthasesLarge multienzyme complexes that synthesize diverse small molecules in a stepwise manner. 516539
Mohamed Shehata @shehata92.bsky.social · 01/01/2025Happy New Year! 2024 brought moments of growth, gratitude, and connection—reuniting with my family and navigating every peak and valley. Thankful to God, mentors, and the privilege of studying life atom by atom. Here’s to 2025: embracing challenges, breaking limits, and chasing the extraordinary. 🚀💥 140
Mohamed Shehata @shehata92.bsky.social · 15/12/2024It matters who does science Scientists should embrace their humanity rather than pretending that they are a bunch of automatons who instantly reach perfectly objective conclusions. www.science.org/content/blog...science.orgIt matters who does science 010
Reposted by Mohamed ShehataMartin Vögele @martinvoegele.bsky.social · 13/12/2024The inside of a cell is incredibly crowded! With advancing computing power and smart algorithms, this complex world is becoming more accessible through simulations. This review summarizes the current state of modeling macromolecular crowding: pubs.acs.org/doi/10.1021/... #CompChempubs.acs.orgRecent Progress in Modeling and Simulation of Biomolecular Crowding and Condensation Inside CellsMacromolecular crowding in the cellular cytoplasm can potentially impact diffusion rates of proteins, their intrinsic structural stability, binding of proteins to their corresponding partners as well ... 3419
Mohamed Shehata @shehata92.bsky.social · 09/12/2024Looking back at this post from five months ago, it feels even more relevant today. With AI reshaping computational chemistry, unlocking opportunities once unimaginable, it’s a thrilling yet humbling time—full of excitement for the future and uncertainty about the challenges ahead. 000
Mohamed Shehata @shehata92.bsky.social · 07/12/2024First post on Bluesky—Sitting on the pyramids, a reminder of what humans can achieve. As an Egyptian scientist, I’m inspired to push boundaries, fueled by the legacy of a civilization that never stopped reaching higher. 1100