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High-throughput binding affinity calculations at extreme scales

BACKGROUND: Resistance to chemotherapy and molecularly targeted therapies is a major factor in limiting the effectiveness of cancer treatment. In many cases, resistance can be linked to genetic changes in target proteins, either pre-existing or evolutionarily selected during treatment. Key to overco...

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Detalles Bibliográficos
Autores principales:	Dakka, Jumana, Turilli, Matteo, Wright, David W., Zasada, Stefan J., Balasubramanian, Vivek, Wan, Shunzhou, Coveney, Peter V., Jha, Shantenu
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	BioMed Central 2018
Materias:	Research
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6302294/ https://www.ncbi.nlm.nih.gov/pubmed/30577753 http://dx.doi.org/10.1186/s12859-018-2506-6

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