Joined October 2022
- Tweets 10
- Following 41
- Followers 37
- Likes 1
Photos and videos
11 Oct 2024
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
8
23
984
16 May 2024
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
2
7
24
1,112
15 Sep 2023
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…
1
5
126
WolberLab retweeted
11 Jan 2023
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
1
4
15
1,247
29 Nov 2022
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…
1
1
WolberLab retweeted
2 Feb 2022
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!
2
6
WolberLab retweeted
8 Oct 2022
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
1
7
WolberLab retweeted
26 Oct 2022
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
9
26