Tim Hempel

Tweeps - news! I'll join @MSFTResearch as research manager starting Oct 1st, opening a new AI4Science Lab in beautiful Berlin! We'll focus on fundamental challenges between #MachineLearning & #Physics/#Chemistry. We'll start at Alexanderplatz, and we'll hire at all levels! 🧵

Thanks @smnlssn, always happy to collaborate!

Check out our tour de force in cutting edge relaxation dispersion NMR and Markov modeling to characterize protein-protein association and recognition. So many hours and years went into this! Thrilled to see it out finally!

Excited to share our new review preprint about Markov Field Models! arxiv.org/abs/2206.11620 This might be the last paper of my PhD (did I say that before?) @FrankNoeBerlin @smnlssn

@andreasmardt & @tmhmpl have developed the #MachineLearning approach iVAMPnet: decompose macromolecules into dynamically independent subunits & describe each by a Markov State Model. With @CecClementi. 🧵⬇️ biorxiv.org/content/10.110…

Great new work by @FrankNoeBerlin @eigensteve @andreasmardt @brookehus @tmhmpl et al @FU_Berlin @ME_at_UW @uwengineering @phybiofunc - '#Deeptime: a #Python library for #machinelearning dynamical models from #timeseries...' - bit.ly/3rPRHvn #fluids #compchem #dynamics

Join our next @struc2drug seminar on Thursday at 15:00 (CET)! @Guille_PH and @tmhmpl will discuss with us how to guide GPCR and SARS-CoV-2 research by deciphering interaction profiles with MD simulations. Find more details on volkamerlab.org/outreach/struc…

Working towards computing kinetics for large biomolecules with independent Markov decomposition. @tmhmpl championed this work, big shoutout to the team Mauricio del Razo, @CTLeeRes @RommieAmaro @biobryn. So happy to have a paper with you Rommie! biorxiv.org/content/10.110…

The protein TMPRSS2 is a great COVID-19 drug target, but we have no experimental structure. Here we provide the as-yet most advanced equilibrium structure model and study how two drug candidates, camostat and nafamostat work. biorxiv.org/cgi/content/sh…

New cool pre-print from @tmhmpl #NuriaPlattner and @FrankNoeBerlin on characterizing couplings between local Markov models of proteins using transfer entropy biorxiv.org/content/10.110…

Interested in a Markov modeling training camp? Register to the MSM + PyEMMA course in February at FU Berlin: mi.fu-berlin.de/w/CompMolBio/E…