Now accepting applications for a postdoctoral position in my group at Freie Universität Berlin. Come join us! fu-berlin.de/universitaet/b…

We are looking for a new colleague CSU Department of Chemistry in Experimental Physical or Bioanalytical Chemistry: jobs.colostate.edu/postings/134479

We had a busy summer in the McCullagh lab, one of the highlights was getting the #soundofscience interactive museum exhibit started with KICKER. Read all about what we created on the blog: elizabethmccullagh.wordpress.com/2023/10/02/sou… thanks to a community engagement grant from CAS Research OSU

Apply now to our Summer 2024 REU Program! chem.colostate.edu/summer-program… #CSU #csuchemistry #coloradostate #REUProgram #research

COVID Moonshot Science Magazine OpenMM Open Force Field Initiative NVIDIA AMD World Health Organization (WHO) Drugs for Neglected Diseases initiative Our antivirals work equally well against #SARSCoV1 as they do against #SARSCoV2 because they share the same protease. Had we invested early to discover antivirals after the 2006 SARS epidemic, we could have blunted the impact of the #SARSCov2 pandemic!

Summer undergrad research opportunity! Applications are open to participate in computational physical chemistry research with faculty in the SCCPC - includes $10K stipend - see this link for more information: wp.nyu.edu/sccpc/summer-u…

Ever wanted to cluster directly from enhanced sampling simulations? Ever wanted to compute thermodynamic quantities from your clustering? Check out this preprint, the latest collaboration between my group and the Glen Hocky's group! Subarna Sasmal #compchem

If you are at #BPS2024 and interested in motor proteins, structural clustering, allostery, conformational induction vs selection, please go see Priti Roy’s poster!

Applications for the COMP awards for the Fall 2024 American Chemical Society National Meeting (August 18-22, 2024, Denver CO) are now open! The deadline for awards applications is Midnight March 10, AoE Learn about our awards here: acscomp.org/awards

1/n Our group's presence at #ACSSpring2024! Together with Dr. Rose Cersonsky (she/her/hers) we'll organize a #CINF session on Unsupervised Learning. Sunday 8-11 am, 2-5:30 pm. Drop by to hear from Martin McCullagh, Christina Bergonzo, PhD, @tiwarylab, Cecilia Clementi, Lillian Chong, Alberto Perez, and many more!

🔴APPLY & RETWEET Happy to organize the 2024 U.S. National Science Foundation Early Career Workshop in #chemistry to mentor young PIs on how to craft research proposals. If you are plan to write your #NSFCAREERAWARD APPLY!📌 You'll get mentorship form #CAREER awardees & NSF POs nsfcareerworkshop.com

Our paper on Motif VI-loop acting as a nucleotide valve in WNV NS3 is now out in Nucleic Acids Res. Work done by my excellent postdoc Priti Roy and in collaboration with Holly Ramage and her student Zach! academic.oup.com/nar/advance-ar…

Are you interested in QM-based enzyme modeling? Come to my talk at 10:10 am in Bluebird Ballroom 2G today to learn about the Python program I have been developing! qmzyme.readthedocs.io/en/latest/ #ACSFall2024 ACS COMP ACS Division of Chemical Information

Completely agree with the analysis by Caleb Lareau and LeifLudwig and wish to add something more general. It is very easy to compute things, programming is only becoming easier. But it is much harder and more nuanced to derive correct and sound conclusions from computation ->

The Virginia Tech Chemistry Department is hiring for two tenure-track faculty positions! Join the HokieChemistry Family and work alongside world-class researchers and teachers. Apply today: ➡️careers.pageuppeople.com/968/cw/en-us/j… ➡️careers.pageuppeople.com/968/cw/en-us/j…

Join us! We are doing awesome things!

Dept of Chem at Tufts University  is hiring a TT faculty member at the rank of Assoc Prof, or at the rank of Assist Prof w/ a clear potential for promotion to Assoc Prof in <3 yrs, in any area of chemistry related to human health! apply.interfolio.com/153780