| Full text | |
| Author(s): |
Batista, Joao M.
;
Nicu, Valentin Paul
Total Authors: 2
|
| Document type: | Journal article |
| Source: | Physical Chemistry Chemical Physics; v. 25, n. 33, p. 6-pg., 2023-07-24. |
| Abstract | |
Cyclic peptides are privileged structures in medicinal chemistry; however, their solution-state structure characterization is difficult. Vibrational circular dichroism (VCD) spectroscopy is a powerful alternative to NMR, but requires challenging calculations. We present a VCD approach guided by a genetic algorithm, which is simple, more effective, and has a higher conformer resolution. (AU) | |
| FAPESP's process: | 19/22319-5 - Vibrational circular dichroism spectral markers: facilitating absolute configuration assignment of natural products |
| Grantee: | João Marcos Batista Junior |
| Support Opportunities: | Regular Research Grants |