There are two Americas.

Take a look at our lab's collaborative preprint with Dan Raleigh and XtalPi on a simple method for scaffold hopping transformations in binding free energy calculations: ring opening/closing/contraction/expansion, linker changes, macrocycles and more. doi.org/10.26434/chemr…

ACS COMP Award Applications Now Open for Fall 2021 National Meeting - mailchi.mp/364936012311/a…

Applications are open for the ACS Division of Computers in Chemistry (COMP) awards for the Fall 2021 ACS national meeting. The deadline to apply is April 7th. For more info visit acscomp.org/awards ACS COMP American Chemical Society

Thank you The Colombo Lab for this nice highlight of Emilia P. Barros Lorenzo Casalino Zied Gaieb @abbydommer @Lucy_Comp @simmerling ACE2 simulations in the Biophysical Journal #COVID19 special issue!

Join our symposium at the Fall 2021 ACS National Meeting - Computational Chemistry of COVID-19: Lessons Learned and Future Directions. Register and send abstract until April 12, 2021, acs.org/content/acs/en…. For more information, contact organizers @simmerling and Katarzyna Świderek

A new #WomenMakeCOMP symposium will be held VIRTUALLY at the Fall 2021 ACS Meeting! If you are a young woman in #compchem apply to present your research & meet the leaders in our field! Submit your abstract before April 12: callforabstracts.acs.org/acsfall2021/CO… #WomenInSTEM pls RETWEET

Important FYI for all #CHARMM-GUI users; CHARMM-GUI

Our most recent paper with Dan Raleigh is out in JPC-B: interactions in protein denatured state probed via combination of expt and AMBER md alchemical free energy. pubs.acs.org/doi/full/10.10… JPC B Papers StonyBrookChemistry LauferCenter

Like butter that has been scraped over too much bread. sciencemag.org/careers/2021/0…

Come learn about our recent work on the SARS-CoV-2 spike in the ACS National Meeting at 5:10PM ET today (April 7)!

#WednesdayThoughts: Is love for a subject enough to make a career? According to @stonybrookchem's Dr. Carlos Simmerling, it can be if you find the right way to do it. Read more in the latest Stony Brook University Magazine: bit.ly/3shqjmC

Please, join this campaign, help spread the word, and register for this event. Many thanks for the invitation to join such a great initiative! #compchem

Our team thinks that #SARSCoV2 spike - receptor binding may lead to important changes in the S2 fusion subunit before S1 shedding... check out our hypothesis at doi.org/10.1101/2021.0…. Grateful for support from Research Corporation for Science Advancement LauferCenter StonyBrookChemistry NVIDIA and #VMD for graphics!

CDC now recommends Pfizer-BioNTech #COVID19 vaccine for use in 12- through 15-year-old adolescents. Providers may begin vaccinating them right away. See full statement from CDC Director Dr. Rochelle Walensky: bit.ly/3tCXvp3

Attention #CompChem undergrads! Registration for the 2021 MERCURY Conference is now open. This virtual summer program includes a speaker series, social events, and two workshops from MolSSI. There is also an opportunity to present your research. mercuryconsortium.org/conference-202…

ACS COMP Division applications open for Spring 2022 awards - mailchi.mp/e7504118acca/a…

Very excited to have Ivet joining us! Ivet Bahar Named Director of Laufer Center for Physical and Quantitative Biology news.stonybrook.edu/university/ive…

SpikeScape: A Tool for Analyzing Structural Diversity in Experimental Structures of the #SARSCoV2 Spike Glycoprotein #drugdesign #cheminformatics pubs.acs.org/doi/10.1021/ac… @simmerling Vol63 Issue4 #JCIM #Application_Notes

That was from Ken Dill who values details but also knows how to keep focused on the big picture