TOLEDO: enhancing Maestro GUI for non-expert users to perform massive MD simulations
Sign Up to like & getrecommendations! Published in 2024 at "Journal of Biomolecular Structure and Dynamics"
DOI: 10.1080/07391102.2024.2423380
Abstract: Abstract Classical Molecular Dynamics (MD) simulates the dynamical evolution of biological systems at the atomic level. Using MD in conjunction with high-performance computing (HPC) architectures, we can evaluate the possible interactions between a ligand library… read more here.
Keywords: maestro gui; gui; several simulations; non expert ... See more keywords