Top Tweets for #TeachOpenCADD
I loved working with @DominiqueSydow and Andrea Volkamer on this pipeline! #TeachOpenCADD notebooks for kinase comparison. Thank you, @livecomsj!
We’ve got a new article out, from Andrea Volkamer’s group, on a pipeline for kinase similarity assessment in order to help predict off-target effects. Check it out! The pipeline is part of TeachOpenCADD, and the code is all available. #CompChem
https://t.co/XeIFcxZ2C4
Including personal big thanks & pleasure for collaborative Sosei Heptares @soseiheptaresco and University of Copenhagen @Uni_copenhagen work with Albert J. Kooistra and Dominique Sydow on integrated #GPCR #structural #bioinformatics #cheminformatics #caddesign workshops
Update of openmm_runner #moleculardynamics #TeachOpenCADD #rdkit #openmm #chemoinformatics mdtools for openmm #moleculardynamics #TeachOpenCADD #rdkit #openmm #chemoinformatics https://t.co/7cGyjDDh9d
I just wanted to shout out that the #VolkamerLab #TeachOpenCADD resource is awesome! It should be a must-visit for any newcomer to the field of #ComputerAidedDrugDesing. The Knime and Python versions are both really good and quite complete. https://t.co/Vczl6Bp1YZ
#compchem
Make mdtools for openmm #moleculardynamics #TeachOpenCADD #rdkit #openmm #chemoinformatics https://t.co/y81n8KNG4x
This is the perfect starting point for many applications: lectures/courses, bio/chem-informatics pipelines, research, software development, and more! Very proud to be part of such a great project! #teachopencadd
Wow, #TeachOpenCADD got mentioned in this list! Thanks @wpwalters!
I'll add that we are preparing a HUGE release very soon! Lots of changes! Stay tuned!
New post, "A Highly Opinionated List of Open Source Cheminformatics Resources", https://t.co/wuvuknITMh
Super happy about the latest updates of #TeachOpenCADD ! Congratulations to @DominiqueSydow and @jaime_rgp ! #RDKitUGM2020 lightning talk.
After setting up #TeachOpenCADD and #NGLview, molecule visualization in #Jupyter is working great. So excited to learn how to modify molecule conformation with #Python 😆
#TeachOpenCADD-KNIME: A Teaching Platform for Computer-Aided #Drug Design Using KNIME Workflows https://t.co/SUnic7nnbk
@DominiqueSydow @jaime_rgp @daria_goldmann @dr_greg_landrum
#Current_issue #Application_note
Second day at the #RDKitUGM2019 and starts with #TeachOpenCADD for open learning in #chemoinformatics, & structural #bioinformatics. The @jcheminf paper is here: https://t.co/b9YD1FWQEe #CompChem
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