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Fewer Dimensions, More Structures for Improved Discrete Models of Dynamics of Free versus Antigen-Bound Antibody
Over the past decade, Markov State Models (MSM) have emerged as powerful methodologies to build discrete models of dynamics over structures obtained from Molecular Dynamics trajectories. The identification of macrostates for the MSM is a central decision that impacts the quality of the MSM but depen...
Autores principales: | Kabir, Kazi Lutful, Ma, Buyong, Nussinov, Ruth, Shehu, Amarda |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9313177/ https://www.ncbi.nlm.nih.gov/pubmed/35883567 http://dx.doi.org/10.3390/biom12071011 |
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