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List of works by Marcelo C R Melo

Accelerating antibiotic discovery through artificial intelligence

publication published on 09 September 2021

Direction Matters: Monovalent Streptavidin/Biotin Complex under Load

scientific article published on 26 October 2018

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

scientific article published on 01 October 2020

Mining for encrypted peptide antibiotics in the human proteome

scientific article published in 2021

NAMD goes quantum: an integrative suite for hybrid simulations

scientific article published on 26 March 2018

Population FBA predicts metabolic phenotypes in yeast.

scientific article published on 8 September 2017

Scalable molecular dynamics on CPU and GPU architectures with NAMD ⬇️

scientific article published on 01 July 2020

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