Exploring the most stable aptamer/target molecule complex by the stochastic tunnelling-basin hopping-discrete molecular dynamics method

The stochastic tunnelling-basin hopping-discrete molecular dynamics (STUN-BH-DMD) method was applied to the search for the most stable biomolecular complexes in water by using the MARTINI coarse-grained (CG) model. The epithelial cell adhesion molecule (EpCAM, PDB code: 4MZV) was used as an EpCAM ad...

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Detalles Bibliográficos
Autores principales: Su, Chia-Hao, Chen, Hui-Lung, Ju, Shin-Pon, You, Tai-Ding, Lin, Yu-Sheng, Tseng, Ta-Feng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8169667/
https://www.ncbi.nlm.nih.gov/pubmed/34075115
http://dx.doi.org/10.1038/s41598-021-90907-y

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8169667/
https://www.ncbi.nlm.nih.gov/pubmed/34075115
http://dx.doi.org/10.1038/s41598-021-90907-y

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