Machine learning accelerates MD-based binding pose prediction between ligands and proteins.
Terayama K, Iwata H, Araki M, Okuno Y, Tsuda K.
Terayama K, et al.
Bioinformatics. 2018 Mar 1;34(5):770-778. doi: 10.1093/bioinformatics/btx638.
Bioinformatics. 2018.
PMID: 29040432
Free PMC article.
AVAILABILITY AND IMPLEMENTATION: Code and data are available on GitHub at https://github.com/tsudalab/bpbi. CONTACT: terayama@cbms.k.u-tokyo.ac.jp or tsuda@k.u-tokyo.ac.jp. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.. …
AVAILABILITY AND IMPLEMENTATION: Code and data are available on GitHub at https://github.com/tsudalab/bpbi. CONTACT: terayama@cbms. …