Aaron T. Frank

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…

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/2912…

@bayouphysicist Mainly on Spanish right now.

@aFrankLab What language is he learning?

Learn a language with me for free! Duolingo is fun, and proven to work. Here’s my invite link: invite.duolingo.com/BDHTZTB5CWWKTT…

.@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/76912/sr.…

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/10.10…

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/10.110…

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/5…

Probabilistic Modeling of RNA Ensembles Using NMR Chemical Shifts pubs.acs.org/doi/10.1021/ac…

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/content/373/65…. Congrats to lead authors @raphaeljlt @amw_stanford and Stephan Eismann!

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)

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/…

(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/10.110…

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-netwo… 1/4

Quantum Mechanics Helps Uncover Atypical Recognition Features in the Flavin Mononucleotide Riboswitch pubs.acs.org/doi/10.1021/ac…

New interesting work from DeepMind.

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/10.1101/2021.0… (1/4)

Titr-DMD—A Rapid, Coarse-Grained Quasi-All-Atom Constant pH Molecular Dynamics Framework pubs.acs.org/doi/10.1021/ac…

Mining for Ligandable Cavities in RNA pubs.acs.org/doi/10.1021/ac…