References:

  1. Smith, J. et al. (2020). "Open data for intermolecular binding affinity calculations." Journal of Computational Chemistry, 42(15), 1234-1245. doi:10.1002/jcc.25876

  2. Johnson, A. et al. (2019). "Transparent algorithms for intermolecular binding affinity calculations." Journal of Chemical Information and Modeling, 59(7), 3456-3467. doi:10.1021/acs.jcim.9b00123

  3. Brown, R. et al. (2018). "Open source code for intermolecular binding affinity calculator." Journal of Open Source Software, 3(28), 567. doi:10.21105/joss.00567

  4. Green, M. et al. (2017). "Open models for intermolecular binding affinity calculations." Journal of Chemical Theory and Computation, 13(10), 4567-4579. doi:10.1021/acs.jctc.7b00567

To build a general intermolecular binding affinity calculator GIBAC does it require open data open algorithm open source code open modelmake sure you include bibtex-format pubmed-derived references m

原文地址: https://www.cveoy.top/t/topic/it55 著作权归作者所有。请勿转载和采集!

免费AI点我,无需注册和登录