WolberLab

[WolberLab @WolberLab]

We are excited to share the update that our project OpenMMDL has been accepted as MDAKit, now available at MDAnalysis https://t.co/0QwMFjpIoW and via conda forge https://t.co/XdBSFBq1SR
@openmm_toolkit
@VTalagayev
@YuChen_istry
@Habacef
@jchodera
@orbeckst

[WolberLab @WolberLab]

and obviously thank you to @jchodera !

[WolberLab @WolberLab]

The latest version of OpenMMDL is ready to use! https://t.co/STLBZqMYVP An open-source, easy-to-use MD platform for preparing + simulating protein-ligand complexes in @openmm, with interaction analysis. Manuscript incoming!
@openmm_toolkit
@VTalagayev
@YuChen_istry
@Habacef

[WolberLab @WolberLab]

Exciting updates to our OpenMMDL workflow! We have added A) an Amber path for OpenMMDL-setup and B) protein-ligand interaction and binding mode analysis @VTalagayev @YuChen_istry @openmm_toolkit
https://t.co/STLBZqMYVP

[Kristina Puls @KristinaPuls]

Check out the solution of the riddle: https://t.co/z3NX6bQ1yA The study evaluates massive experimental data and conflicting hypotheses to shed light on the often addressed but unknown binding mode of Salvinorin A at the kappa opioid receptor #ERNEST #GPCR #drugdesign @WolberLab

[WolberLab @WolberLab]

@openmm_toolkit thank you!!

[WolberLab @WolberLab]

We're happy to announce Valerij and Yu's work on our new easy-access OpenMM workflow - allowing MD simulations of ligand-protein complexes + subsequent analysis :)
@VTalagayev
@YuChen_istry

https://t.co/STLBZqNwLn

[Kristina Puls @KristinaPuls]

Our paper about the mechanistic characterization of the pharmacological profile of HS-731, a peripherally acting opioid analgesic, at the µ-, δ-, κ-opioid and nociceptin receptors is now published.
You can find the free access paper at https://t.co/RtudwfhI6z

Thank you all!

[Marc Lucas Appis @MarcLucasAppis]

Yesterday it was my great pleasure to speak about digital PCR and BLI for #cancer research at the BCPS Symposium taking place @fubcp

The BCPS is a conference for students (bachelor to PhD level) organized by students from the young chemists forum Berlin @jcf_berlin

[Theresa Noonan @TheresaNoonan7]

I’m thrilled to share our review on the power of 3D pharmacophores in GPCR research (coincidentally also my first first-author publication) :)
@gerhardwolber @KristinaPuls @TN_Nguyen92

https://t.co/UGHykQb2hU