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Margarida Matos Rosa on Muck Rack

Margarida Matos Rosa

As seen in: BioRxiv, Cell Press, Dialnet - Universidad de La Rioja
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Articles

A sala de aula remota de língua espanhola um olhar para o engajamento e o alinhamento sob as lentes da Análise da Conversa Multimodal

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By Margarida Matos Rosa, Margarida Rosa Álvares
| Dialnet - Universidad de La Rioja
Ayuda Buscar en la ayuda Buscar en la ayuda
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Automated Collective Variable Discovery for MFSD2A transporter from molecular dynamics simulations

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By Myongin Oh, Margarida Matos Rosa, Hengyi Xie, George Khelashvili
| Cell Press Verified
ABSTRACT Biomolecules often exhibit complex free energy landscapes in which long-lived metastable states are separated by large energy barriers. Overcoming these barriers to robustly sample transitions between the metastable states with classical molecular dynamics (MD) simulations presents a challenge. To circumvent this issue, collective variable (CV)-based enhanced sampling MD approaches are often employed. Traditional CV selection relies on intuition and prior knowledge of the system.
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Automated Collective Variable Discovery for MFSD2A transporter from molecular dynamics simulations

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By Myongin Oh, Margarida Matos Rosa, Hengyi Xie, George Khelashvili
| BioRxiv
Abstract Biomolecules often exhibit complex free energy landscapes in which long-lived metastable states are separated by large energy barriers. Overcoming these barriers to robustly sample transitions between the metastable states with classical molecular dynamics (MD) simulations presents a challenge. To circumvent this issue, collective variable (CV)-based enhanced sampling MD approaches are often employed. Traditional CV selection relies on intuition and prior knowledge of the system.
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