Aaron T. Frank retweeted
We're looking everywhere for co-ops to jump right in and become integral members of our team, driven by curiosity and the freedom to explore. We strive to make Arrakis an inclusive place where everyone can thrive. Learn more and join us! #DareToBeArrakeen
arrakistx.com/careers/curren…
Aaron T. Frank retweeted
I'm leading an exciting internship project at OpenEye in summer 2022! There are lots of opportunities for undergrad and grad students, check it out:
linkedin.com/jobs/view/29128…
Aaron T. Frank retweeted
.@LoganSAhlstrom (Director of Data Science Labs .@CharlesSchwab) is hiring for his team and this is an opportunity that you won't want to miss!
Position is tenable in:
US-TX-Austin
US-MI-Ann Arbor
US-TX-Westlake
US-IL-Chicago
US-CA-San Francisco
career-schwab.icims.com/jobs…
Aaron T. Frank retweeted
Pleased to share our new publication, "Investigation of the pKa of the Nucleophilic O2′ of the Hairpin Ribozyme" in press at J Phys Chem B. Image is the cover prepared by first author Drew Veenis. pubs.acs.org/doi/full/10.102…
Aaron T. Frank retweeted
Happy to announce our collaborative paper with @Roivant sciences is up on bioRxiv! In it we use wepy and REVO weighted ensemble sampling to simulate PROTAC ternary complex formation. But there's so much more here too! biorxiv.org/content/10.1101/…
Aaron T. Frank retweeted
Our lab is hiring postdoc(s) again! Come work with us to build and apply the next generation of tools for computational drug discovery! Dynamics, property prediction, PK modeling, and crazy new virtual screening methods. Come and be a part of it! careers.msu.edu/cw/en-us/job…
Aaron T. Frank retweeted
Out today in @ScienceMagazine - our work in collaboration with @DrorLab on ARES: a geometric deep learning algorithm that can identify accurate 3D RNA structures: science.sciencemag.org/conte…. Congrats to lead authors @raphaeljlt @amw_stanford and Stephan Eismann!
Aaron T. Frank retweeted
Excited to present our work from @UCIChemistry at #ACSFall2021 @ACSCOMP @AmerChemSociety : "Probing the Dynamical Couplings in the SARS-CoV-2 Spike Protein Using Unsupervised Learning and Protein Graph Connectivity Network". Tue 24 Aug @ 8.15 pm EDT, Zoom Room 11 #compchem (1/3)
Aaron T. Frank retweeted
An Introduction to Cheminformatics, Data Analysis, and Machine Learning
August 19, 2021 - 10AM EST
A hands-on workshop on building and validating ML models
rsc.org/events/detail/47411/…
Aaron T. Frank retweeted
(1) Our new pre-print from Andricioaei group @UCIChemistry with our undergraduate researcher, Riley. We explored the dynamical perturbation in the antigen-antibody complex due to the mutations in the SARS-CoV-2 spike RBD. #compchem #SARSCoV2 biorxiv.org/content/10.1101/…
Aaron T. Frank retweeted
Please RT. I and @chem_christian are jointly organizing a @BiophysicalSoc sponsored virtual networking event, on Computational Methods for Biomolecular Kinetics, on Sept 1, 2021, 8-10 am PDT. Registration is free and BPS membership not required. Link: biophysics.org/upcoming-netw… 1/4
Aaron T. Frank retweeted
New interesting work from DeepMind.
Proteins are not static bricks! Feasibility study to infer a continuous distribution of all states using an end-to-end model from Cryo-EM images to atom coordinates: arxiv.org/abs/2106.14108.
@danrsm, @GarneloMarta, @MichaelZielins, @JonasAAdler, @arkitus, @CarlDoersch, @pushmeet
Aaron T. Frank retweeted
Our new pre-print from Andricioaei group @UCIChemistry (in collaboration with talented undergrad Sharon). We introduce the Markovian Weighted Ensemble Milestoning (M-WEM) approach which combines Weighted Ensemble with the Markovian Milestoning: doi.org/10.1101/2021.06.26.4… (1/4)
Aaron T. Frank retweeted
Titr-DMD—A Rapid, Coarse-Grained Quasi-All-Atom Constant pH Molecular Dynamics Framework pubs.acs.org/doi/10.1021/acs…
Aaron T. Frank retweeted
If you want to have a look inside SARS-CoV-2 🔎🦠🧬, check out the new paper w @SSadnro @BussiGio studying the structural dynamics on a set of non-coding elements in the 5' UTR of the RNA genome. Now out in @J_A_C_S doi.org/10.1021/jacs.1c01094. Or have a look the video Sandro made👇
Aaron T. Frank retweeted
It's been a great pleasure to work with the Naar lab on SARS-CoV-2 therapeutic. So excited to see this work come together and hoping it would lead to a new treatment ! biorxiv.org/content/10.1101/…
Aaron T. Frank retweeted
Looking forward to this @BiophysicalSoc event coming up next month. Exciting line-up of speakers:
Aaron T. Frank, Alex Dickson, Lucie Delemotte,
Frank Noé, Celia Schiffer,
Mohammed AlQuraishi
biophysics.org/upcoming-netw…
Aaron T. Frank retweeted
#compchem Good read : FMODB: The World’s First Database of Quantum Mechanical Calculations for Biomacromolecules Based on the Fragment Molecular Orbital Method doi.org/10.1021/acs.jcim.0c0…
Aaron T. Frank retweeted
OpenMM is making it easy to interoperate with machine learning frameworks! Want to use a machine learning potential or collective variable defined in @PyTorch? JUst install the openmm-torch plugin from @condaforge and easily import your models!
github.com/openmm/openmm-tor…
Aaron T. Frank retweeted
Join us for the final in our series of Preprint Journal Clubs, in partnership with @PREreview_, taking place October 21 at 5pm BST
More information on the preprint being discussed, and how to register can be found here 👇
elifesciences.org/events/eb6… #eLifePREreviewLive




























