ANCA: Anharmonic Conformational Analysis of Biomolecular Simulations

Anharmonicity in time-dependent conformational fluctuations is noted to be a key feature of functional dynamics of biomolecules. Although anharmonic events are rare, long-timescale (μs–ms and beyond) simulations facilitate probing of such events. We have previously developed quasi-anharmonic analysi...

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Detalles Bibliográficos
Publicado en:Biophys J
Autores principales: Parvatikar, Akash, Vacaliuc, Gabriel S., Ramanathan, Arvind, Chennubhotla, S. Chakra
Formato: Artigo
Lenguaje:Inglês
Publicado: The Biophysical Society 2018
Materias:
Computational Tools
Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC5961460/
https://ncbi.nlm.nih.gov/pubmed/29742397
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2018.03.021
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