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@simmerling @simmerling

Computational chemist/biophysicist at Stony Brook University Department of Chemistry & Laufer Center. Force fields, Amber software and biomolecular recognition. simmerlinglab.org Stony Brook University Joined August 2009
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@simmerling @simmerling

9 months ago

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

fiona_chembot Profile Picture

Dr. Fiona (she/her) @fiona_chembot

9 months ago

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

@simmerling retweeted
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JCIM & JCTC Journals @JCIM_JCTC

a year ago

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

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@simmerling @simmerling

a year ago

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

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@simmerling @simmerling

3 years ago

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

@simmerling retweeted
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MERCURY Consortium @MERCURY_NSF

3 years ago

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_NSF. There is also an opportunity to present your research. mercuryconsortium.org/conference-202…

@simmerling retweeted
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Dan Roe @daniel_r_roe

3 years ago

Using CPPTRAJ to calculate sugar puckers, but tired of manually specifying every atom? Have no fear, the 'multipucker' command is here! github.com/Amber-MD/cpptr…

@simmerling retweeted
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CDC @CDCgov

3 years ago

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 @CDCDirector Dr. Rochelle Walensky: bit.ly/3tCXvp3

@simmerling retweeted
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Fernanda Duarte @fjduarteg

3 years ago

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

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CompChemURG @CompChemURG

3 years ago

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

@simmerling retweeted
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Stony Brook University @stonybrooku

3 years ago

#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

simmerling Profile Picture

@simmerling @simmerling

3 years ago

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 @RCSA1 @LauferCenter @SBUChemistry @nvidia and #VMD for graphics!

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@simmerling @simmerling

3 years ago

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

simmerling Profile Picture

@simmerling @simmerling

3 years ago

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

@simmerling retweeted
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Alex MacKerell @alex_mackerell

3 years ago

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

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CHARMM-GUI @CharmmGui

3 years ago

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

simmerling Profile Picture

@simmerling @simmerling

3 years ago

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

@simmerling retweeted
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Giulia Palermo @palermo_lab

3 years ago

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

@simmerling retweeted
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Katarzyna Świderek @swiderek_k

3 years ago

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 @swiderek_k

@simmerling retweeted
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Rommie Amaro @RommieAmaro

3 years ago

Thank you @lab_colombo for this nice highlight of @EmiliaPBarros @LCasalino88 @zied_gaieb @abbydommer @Lucy_Comp @simmerling ACE2 simulations in the @BiophysJ #COVID19 special issue!

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Biophysical Journal @BiophysJ

3 years ago

Thank you @lab_colombo for this nice highlight of @EmiliaPBarros @LCasalino88 @zied_gaieb @abbydommer @Lucy_Comp @simmerling ACE2 simulations in the @BiophysJ #COVID19 special issue!

@simmerling retweeted
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ACS COMP @ACSCOMP

3 years ago

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

simmerling Profile Picture

@simmerling @simmerling

3 years ago

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 @ACSCOMP @AmerChemSociety

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