Search Results - Melo, Marcelo C.R.

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  1. 1
    Enhanced sampling techniques in molecular dynamics simulations of biological systems

    Enhanced sampling techniques in molecular dynamics simulations of biological systems by Bernardi, Rafael C., Melo, Marcelo C.R., Schulten, Klaus

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  2. 2
    Scalable molecular dynamics on CPU and GPU architectures with NAMD

    Scalable molecular dynamics on CPU and GPU architectures with NAMD by Phillips, James C., Hardy, David J., Maia, Julio D. C., Stone, John E., Ribeiro, João V., Bernardi, Rafael C., Buch, Ronak, Fiorin, Giacomo, Hénin, Jérôme, Jiang, Wei, McGreevy, Ryan, Melo, Marcelo C. R., Radak, Brian K., Skeel, Robert D., Singharoy, Abhishek, Wang, Yi, Roux, Benoît, Aksimentiev, Aleksei, Luthey-Schulten, Zaida, Kalé, Laxmikant V., Schulten, Klaus, Chipot, Christophe, Tajkhorshid, Emad

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  3. 3
    Molecular de-extinction of ancient antimicrobial peptides enabled by machine learning

    Molecular de-extinction of ancient antimicrobial peptides enabled by machine learning by Maasch, Jacqueline R.M.A., Torres, Marcelo D.T., Melo, Marcelo C.R., de la Fuente-Nunez, Cesar

    Published in Cell host & microbe
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  4. 4
    Fostering discoveries in the era of exascale computing: How the next generation of supercomputers empowers computational and experimental biophysics alike

    Fostering discoveries in the era of exascale computing: How the next generation of supercomputers empowers computational and experimental biophysics alike by Melo, Marcelo C.R., Bernardi, Rafael C.

    Published in Biophysical journal
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  5. 5
    Fundamental behaviors emerge from simulations of a living minimal cell

    Fundamental behaviors emerge from simulations of a living minimal cell by Thornburg, Zane R., Bianchi, David M., Brier, Troy A., Gilbert, Benjamin R., Earnest, Tyler M., Melo, Marcelo C.R., Safronova, Nataliya, Sáenz, James P., Cook, András T., Wise, Kim S., Hutchison, Clyde A., Smith, Hamilton O., Glass, John I., Luthey-Schulten, Zaida

    Published in Cell
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  6. 6
    Large Scale Structure Sampling for Protein Fold Prediction using the Generalized Simulated Annealing

    Large Scale Structure Sampling for Protein Fold Prediction using the Generalized Simulated Annealing by Melo, Marcelo C.R., Bernardi, Rafael C., Pascutti, Pedro G.

    Published in Biophysical journal
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  7. 7
    QM/MM Molecular Dynamics Methods Applied to Investigate Cellulose Fibers Hydration

    QM/MM Molecular Dynamics Methods Applied to Investigate Cellulose Fibers Hydration by Bernardi, Rafael C., Melo, Marcelo C.R., Pascutti, Pedro G.

    Published in Biophysical journal
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  8. 8
    Effects of Variants of Concern Mutations on the Force-Stability of the SARS-CoV-2:ACE2 Interface and Virus Transmissibility

    Effects of Variants of Concern Mutations on the Force-Stability of the SARS-CoV-2:ACE2 Interface and Virus Transmissibility by Bauer, Magnus S, Gruber, Sophia, Hausch, Adina, Melo, Marcelo Cr, Gomes, Priscila Sfc, Thomas, Nicolaus, Milles, Lukas F, Bernardi, Rafael C, Gaub, Hermann E, Lipfert, Jan

    Published in bioRxiv
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  9. 9
    Hydrological influence on the evolution of a subtropical mangrove ecosystem during the late Holocene from Babitonga Bay, Brazil

    Hydrological influence on the evolution of a subtropical mangrove ecosystem during the late Holocene from Babitonga Bay, Brazil by Azevedo, Allana Queiroz de, Jiménez-Espejo, Francisco J., França, Marlon Carlos, García-Alix, Antonio, Silva, Fernando A. Borges da, Pessenda, Luiz C.R., Cohen, Marcelo C.L., Fontes, Neuza A., Pinheiro, Vanessa C., Macario, Kita, Melo, João C.F., Piccolo, Marisa de C., Bendassolli, José A.

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