Top Tweets for #MoBioTools
@Gustavoc1993 @Nurinnu95 @mateo_henar @lorenaruano4 @SDiazTendero Download #MoBioTools here
https://t.co/Y5N5gFV9Xg
Read our last paper published on the Journal of Computational Chemistry about the #MoBioTools, a toolkit to automatically set up #QMMM calculations from a dynamics trajectory.
Great job by @Gustavoc1993 in collaboration with the whole #MoBioChem group.
https://t.co/Vved8I7AaH
💻🧬#MoBioTools is an open source and free of charge software aimed to set up QM/MM calculations for ensembles of geometries in an automatic way.
The toolkit was developed by Gustavo Cárdenas during his PhD thesis and tested by everyone in our group 😁
🟢I am thrilled to announce that the publication where we introduce and describe the #MoBioTools toolkit developed by Gustavo Cárdenas is already out as a preprint on @ChemRxiv.
#MoBioChemPublications #theochem #compchem
https://t.co/4Zz3Cy8CGE
Last hands-on session of the course on Simulation of Biological Systems.
Today, Gustavo Cárdenas will tell us how to compute absorption spectra by using the #MoBioTools software developed in our group.
⏱ Friday 25th February at 13:00 (Madrid)
▶️ https://t.co/f4WlCrQhzQ
We are already in live in our third hands-on session of the course on Simulation of Biological Systems.
Gustavo is explaining how to compute redox potentials by combining classical MD, QM/MM and #mobiotools
https://t.co/i9ggNuatb9
📡📡We are delighted to announce that we have released the #MoBioTools software, a toolkit developed by Gustavo Cárdenas to automatically setup QM/MM calculations for ensembles of geometries generated from MD.
#OpenScience #MoBioChem #theochem #compchem
https://t.co/Y5N5gFV9Xg
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