Marcelo C. R. Melo

Scalable molecular dynamics on CPU and GPU architectures with NAMD

J. C. Phillips, David J. Hardy, Julio D. C. Maia et al. · The Journal of Chemical Physics · 2020 · 3K citations · Full text

Engineering, Tailored Grids, Computer Architecture +22

NAMD goes quantum: an integrative suite for hybrid simulations

Marcelo C. R. Melo, Rafael C. Bernardi, Till Rudack et al. · Nature Methods · 2018 · 234 citations · Full text

Quantum Science, Integrative Suite, Quantum Computing +5

Mining for encrypted peptide antibiotics in the human proteome

Marcelo D. T. Torres, Marcelo C. R. Melo · Nature Biomedical Engineering · 2021 · 173 citations

Proteomic Technology, Biochemistry, Natural Sciences +6

Generalized correlation-based dynamical network analysis: a new high-performance approach for identifying allosteric communications in molecular dynamics trajectories

Marcelo C. R. Melo, Rafael C. Bernardi, César de la Fuente‐Núñez et al. · The Journal of Chemical Physics · 2020 · 153 citations

Engineering, Interaction Network, Molecular Biology +22

Fundamental behaviors emerge from simulations of a living minimal cell

Zane R. Thornburg, David Bianchi, Troy A. Brier et al. · Cell · 2022 · 151 citations · Full text