A very nice review of the book (and mention of this blog) by John Shibata in J. Chem. Ed. Much appreciated!
GOAT: A Global Optimization Algorithm for Molecules and Atomic Clusters
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Bernardo de Souza (2025)
Highlighted by Jan Jensen
If you want to predict accurate reaction energies and barrier heights of
typical organic molecules th...
1 week ago
1 comment:
Hello..sir
I am working on modeling of nanoparticles. I want to dimerize a monomer of protein (ex. albumin) insilico. Can you suggest any tool or any method. Please help me with this. I am stuck with this since last 3 months.
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