Analysis Methods and Protocols

Our analysis methods include the genetic algorithm VCD protocol (GA-VCD) and hierarchical clustering (HC) analysis. These protocols are detailed in the following publications:

Read PDF Koenis, Mark AJ, et al. "Taming conformational heterogeneity in and with vibrational circular dichroism spectroscopy." Chemical science 10.33 (2019): 7680-7689.

Read PDF Marton, Gabriel, et al. "An artificial intelligence approach for tackling conformational energy uncertainties in chiroptical spectroscopies." Angewandte Chemie 135.38 (2023): e202307053.

Angewandte Chemie International Edition 2023-62/38

Chemical Science Vol. 10 No. 33

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