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We are excited to share the update that our project OpenMMDL has been accepted as MDAKit, now available at MDAnalysis mdanalysis.org/ and via conda forge github.com/wolberlab/OpenMMD…
@openmm_toolkit
@VTalagayev
@YuChen_istry
@Habacef
@jchodera
@orbeckst
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The latest version of OpenMMDL is ready to use! github.com/wolberlab/OpenMMD… 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
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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
github.com/wolberlab/OpenMMD…
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WolberLab retweeted
Check out the solution of the riddle: mdpi.com/1420-3049/28/2/718 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
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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
github.com/wolberlab/OpenMMD…
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WolberLab retweeted
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 mdpi.com/1420-3049/27/3/919
Thank you all!
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WolberLab retweeted
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
ALT Myself presenting at the „Berlin Chemie in Praxis Symposium“ about digital PCR
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WolberLab retweeted
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
mdpi.com/1900692
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