Incorporating NOE-Derived Distances in Conformer Generation of Cyclic Peptides with Distance Geometry

Shuzhe Wang, Kajo Krummenacher, Gregory A. Landrum, Benjamin D. Sellers, Paola Di Lello, Sarah J. Robinson, Bryan Martin, Jeffrey K. Holden, Jeffrey Y. K. Tom, Anastasia C. Murthy, Nataliya Popovych, Sereina Riniker. Incorporating NOE-Derived Distances in Conformer Generation of Cyclic Peptides with Distance Geometry. Journal of Chemical Information and Computer Sciences, 62(3):472-485, 2022. [doi]

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