Bettina Keller (@bettinagkeller) 's Twitter Profile
Bettina Keller

@bettinagkeller

Theoretical and Computationla Chemistry, Professor @FU_Berlin, member @[email protected]

ID: 1028020319246790656

linkhttp://www.chemie.fu-berlin.de/keller calendar_today10-08-2018 20:48:38

233 Tweet

1,1K Followers

346 Following

Faidon Brotzakis (@fbrotzakis) 's Twitter Profile Photo

New method that can optimize forcefields, to reproduce moleclular kinetic rates, now published as featured research article on the The Journal of Chemical Physics Special Topic on Machine Learning Hits Molecular Simulations, together with P. Bolhuis,Bettina Keller. pubs.aip.org/aip/jcp/articl…

New method that can optimize forcefields, to reproduce moleclular kinetic rates, now published as featured research article on the <a href="/JChemPhys/">The Journal of Chemical Physics</a> Special Topic on Machine Learning Hits Molecular Simulations, together with P. Bolhuis,<a href="/BettinaGKeller/">Bettina Keller</a>.  pubs.aip.org/aip/jcp/articl…
The Nobel Prize (@nobelprize) 's Twitter Profile Photo

BREAKING NEWS The 2023 #NobelPrize in Physiology or Medicine has been awarded to Katalin Karikó and Drew Weissman for their discoveries concerning nucleoside base modifications that enabled the development of effective mRNA vaccines against COVID-19.

BREAKING NEWS
The 2023 #NobelPrize in Physiology or Medicine has been awarded to Katalin Karikó and Drew Weissman for their discoveries concerning nucleoside base modifications that enabled the development of effective mRNA vaccines against COVID-19.
Canadian Science Publishing (@cdnsciencepub) 's Twitter Profile Photo

Tired of incomplete state space exploration in molecular dynamics? Bettina Keller et al.'s molgri #python package offers a solution by discretizing molecular interactions. Learn how it simplifies complex binding processes: ow.ly/euuT50PXUI8 #ChemicalResearch #ChemTwitter

Tired of incomplete state space exploration in molecular dynamics? <a href="/BettinaGKeller/">Bettina Keller</a> et al.'s molgri #python package offers a solution by discretizing molecular interactions. Learn how it simplifies complex binding processes: ow.ly/euuT50PXUI8 #ChemicalResearch #ChemTwitter
TU Chemnitz (@tuchemnitz) 's Twitter Profile Photo

Förderung für innovatives #Chemie-Lehrprojekt: #TUChemnitz erfolgreich im kompetitiven Förderprogramm des VCI zur Etablierung neuer Lehrmethoden im Chemie-Studium. Moderne Laborexperimente werden mit rund 28.000 Euro gefördert: mytuc.org/pgwc

Canadian Journal of Chemistry (@canjchem) 's Twitter Profile Photo

🔟First up in our Top Articles of 2023 Countdown is “Grid-based state space exploration for molecular binding” by Bettina Keller et al. Read the Editor's Choice paper now: ow.ly/bxH850QitbE #BestOfCSP #MolecularDynamics #Python

🔟First up in our Top Articles of 2023 Countdown is “Grid-based state space exploration for molecular binding” by <a href="/BettinaGKeller/">Bettina Keller</a> et al. Read the Editor's Choice paper now: ow.ly/bxH850QitbE #BestOfCSP #MolecularDynamics #Python
The González Group (@theo_chem) 's Twitter Profile Photo

Don’t miss the one in #Vienna. #excitedStates, #MachineLearning , #RareEvents and more! Register until 28th of January! virapid2024.univie.ac.at Check how many speakers you know! Few teasers: Federica Agostini Julia Westermayr @StevenLopez_neu Basile Curchod Bettina Keller

Daniel Zuckerman (@dmzuckermanlab) 's Twitter Profile Photo

Nonequilibrium physics rules the world. Here are eight chapters introducing key aspects of nonequilibrium biophysics illustrated with simple examples. osf.io/9yq2n/

ViRAPID (@virapid) 's Twitter Profile Photo

More machine learning in the talk of Peter Bolhuis, who explains beautifully how we can learn from trajectory ensembles. #virapid2024

More machine learning in the talk of Peter Bolhuis, who explains beautifully how we can learn from trajectory ensembles.
#virapid2024
ViRAPID (@virapid) 's Twitter Profile Photo

The intricacies of reaction coordinates and more are presented by Bettina Keller on the example of the retinal thermal isomerization #virapid2024

The intricacies of reaction coordinates and more are presented by <a href="/BettinaGKeller/">Bettina Keller</a> on the example of the  retinal thermal isomerization #virapid2024
MPI für Struktur und Dynamik der Materie (@mpsdhamburg) 's Twitter Profile Photo

Dr Mariana Rossi @dr_marossi, #LiseMeitner group leader at the MPSD, has been awarded the Nernst-Haber-Bodenstein Prize 2024 by the German Bunsen Society for her outstanding achievements in the modelling of complex nanostructures and materials at a quantum-mechanical level. 💐🥂

Dr Mariana Rossi @dr_marossi, #LiseMeitner group leader at the MPSD, has been awarded the Nernst-Haber-Bodenstein Prize 2024 by the German Bunsen Society for her outstanding achievements in the modelling of complex nanostructures and materials at a quantum-mechanical level. 💐🥂
Cecilia Clementi (@cecclementi) 's Twitter Profile Photo

We have two postdoctoral positions available, to work in a collaboration between Frank Noe and my group at Freie Universität Berlin on the development of machine-learned coarse-grained protein models. Please email [email protected] if interested.

The Journal of Physical Chemistry (@jphyschem) 's Twitter Profile Photo

This Perspective explores computational methods to unravel the complexities of fluorination in protein-ligand binding, from molecular simulations to specific interactions like hydrogen bonds and aryl group interactions. Leon Wehrhan Bettina Keller pubs.acs.org/doi/full/10.10…

The Journal of Physical Chemistry (@jphyschem) 's Twitter Profile Photo

Unbiased dynamics from biased MD simulations: the implementation of Girsanov reweighting in OpenMM via openmmtools for on-the-fly calculation of reweighting factors and the implementation in Deeptime for reweighted Markov state models. Bettina Keller pubs.acs.org/doi/full/10.10…

JCIM & JCTC Journals (@jcim_jctc) 's Twitter Profile Photo

Prebound State Discovered in the Unbinding Pathway of Fluorinated Variants of the Trypsin–BPTI Complex Using Random Acceleration Molecular Dynamics Simulations #MolecularDynamics pubs.acs.org/doi/10.1021/ac… Leon Wehrhan Bettina Keller Freie Universität #JCIM Vol64 Issue13 #compchem

Bettina Keller (@bettinagkeller) 's Twitter Profile Photo

Join us at Freie Universität as Post-Doc in molecular simulation of chemical reactions. Dive into rare events, machine-learned force fields & dynamical reweighting. 4 years, 100% TV-L. More details: bcp.fu-berlin.de/en/chemie/chem… #CompChem #machinelearning #postdoc