And feel free to make suggestions on the article at the authors' Github repository: github.com/ispg-group/b...
We would love to hear your thoughts too!
We wrote a response to a recent @science.org news article "NIH’s proposed caps on open-access publishing fees roil scientific community", in which we highlight the importance of community-run journals. Sadly our letter was rejected, but you can read it here:
livecomsjournal.org/index.php/li...
As ever you are encouraged to make suggestions at the authors' Github repo: github.com/ManghraniA/M...
Interested in simulating modified nucleic acids?
The latest tutorial article by Galindo-Murillo et al details the steps needed to parameterize and run the simulations in the AMBER ecosystem with modXNA!
#compchem
doi.org/10.33011/liv...
As ever, you can comment on and contribute to the paper at the authors' GitHub repo: github.com/openkinome/k...
The latest article in our Lessons Learned category is out now!
"The Journey of Data: Lessons Learned in Modeling Kinase Affinity, Selectivity, and Resistance" by López-Ríos de Castro et al helps guide the development of platforms for structure-enabled ML for drug discovery: doi.org/10.33011/liv...
The first article of volume 7 is out now!
Learn how to simulate molecular dynamics in electronic excited states, beyond the Born-Oppenheimer approximation, with this best practices article by Prlj et al on nonadiabatic dynamics! #compchem
doi.org/10.33011/liv...
Chapin Cavendar's paper, Structure-Based Experimental Datasets for Benchmarking Protein Simulation Force Fields, is out now in LiveCoMS. Read it for a detailed look at the great work he has been doing toward an OpenFF protein force field, and stay tuned!
livecomsjournal.org/index.php/li...
