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High-throughput binding affinity calculations at extreme scales

Abstract 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 t...

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Main Authors: Jumana Dakka, Matteo Turilli, David W. Wright, Stefan J. Zasada, Vivek Balasubramanian, Shunzhou Wan, Peter V. Coveney, Shantenu Jha
格式: Artigo
語言:Inglês
出版: BMC 2018-12-01
叢編:BMC Bioinformatics
在線閱讀:http://link.springer.com/article/10.1186/s12859-018-2506-6
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