Unbreaking Assemblies in Molecular Simulations with Periodic Boundaries.

Bart M. H. Bruininks Tsjerk A. Wassenaar Ilpo Vattulainen

Published in: J. Chem. Inf. Model. (2023)

Keyphrases

molecular dynamics
molecular dynamics simulations
dna computing
molecular structure
image processing
three dimensional
numerical simulations
database
genetic algorithm
drug discovery