Together with our partners from the Google Cloud we won the HPCwire Reader's Choice Award about our joint COVID-19 drug discovery project using VirtualFlow 🎉 A big thanks again to our partners at Google , we couldn't have done it without you :-) youtube.com/watch?v=pj4ptV…

Former lab member, mentor to dozens of scientists, and our very dear friend, Dr Michael Bonkowski, passed away suddenly yesterday. Besides being a great scientist & father, he was one of the kindest, most generous people I’ve known. GoFundMe tinyurl.com/y4g8e6fp

Studies have demonstrated the COVID-19 vaccine is safe. The vaccine gives us hope. And I urge everyone to take it once it is available. Until then and after you are vaccinated, please continue to stay safe and vigilant.

"A multi-pronged approach targeting SARS-CoV-2 proteins using ultra-large virtual screening" -- Read more on about this platform and its uses in combating #COVID19 in iScience journal hubs.ly/H0DCRCD0 VirtualFlow Google Cloud

1/2 A multi-pronged approach targeting #SARSCoV2 proteins using ultra-large-scale screening platform VirtualFlow to screen over 1 billion #molecules for the potential to inhibit #SARSCoV2. @GoogleCloud Dana-Farber Harvard Medical School cell.com/iscience/fullt…

Our first paper about our COVID-19 project is finally out in iScience: hubs.ly/H0DCRCD0 #SARSCoV2 #Science

The virtual screening results are freely available for the scientific community on our interactive homepage: vf4covid19.hms.harvard.edu #SARSCoV2 #Science #resources

Many thanks again to the entire team for their excellent work and amazing support GoogleCloud Dana-Farber Harvard Medical School @Innophore Boston U Chobanian & Avedisian School of Medicine UC Berkeley TU Berlin Biologie - UNIGE Harvard University Dana-Farber Chemical Biology Program @Google @googleresearch Zuse Institute Berlin MATHplus Guilhem Tesseyre

... @jamiekinney Minko Gechev NEIDL Boston University Konstantin Fackeldey Christoph Gorgulla

... Elastifile, K Leigh , and Krishna PadmanabhaDas :-)

Our paper Alan Brown on structures of the NTSR1-G protein complex in lipid nanodisc is online! NatureStructMolBiol Want to know how lipid bilayers contribute to stronger interaction between GPCR and G proteins? Please check it out! nature.com/articles/s4159…

Nanodiscs rule! Lipid environment promotes GPCR–G protein extensive interactions, as shown for neurotensin receptor by the Wagner, Nasr & Alan Brown labs Harvard Medical School. nature.com/articles/s4159…

Our review on the role of allosteric communication in regulating ligand-specific GPCR activity, with a focus on computational methods was just published! febs.onlinelibrary.wiley.com/doi/10.1111/fe… The Vaidehi Lab

VirtualFlow is now supporting the docking program PLANTS, which uses ant colony-based swarm intelligence. It has many special features such as support of NMR constraints and inclusion of explicit water molecules. More details in our new paper: mdpi.com/1422-0067/22/1…

Neue Medikamente dank Supercomputern spektrum.de/magazin/arznei…

Lese-Tipp! Wie Supercomputer mit Simulationen neue Medikamente schneller entwickeln können! Artikel in Spektrum von MATH+ Mitgliedern Konstantin Fackeldey (TU Berlin) und Marcus Weber (Zuse Institute Berlin) sowie BMS-Alumnus Christoph Gorgulla (VirtualFlow, Harvard University). ➡️ bit.ly/31pbNBB

The VirtualFlow Team stands with the Ukraine. Scientists and collaborators from the Ukraine, including Yurii from Enamine Ltd 🇺🇦 and Chemspace , have generously contributed to the project. Please support the Ukraine now: linkedin.com/posts/enamine-… #StandWithUkriane

Our new opinion paper about how VirtualFlow can accelerate the discovery of new antivirals is out in Molecular Therapy: cell.com/molecular-ther… #drugdiscovery #compchem

We are #hiring! The VirtualFlow Team is looking for a highly skilled and motivated (Senior) Bioinformatics Research Scientist with experience in #drugdiscovery to join our team at St. Jude within the Blue Sky Kinase Initiative. For more information see talent.stjude.org/careers/jobs/J…