A VCD study on micro-solvation and self-aggregation of N -acetyl tryptophan propylamide

2025/01/01 by Dilber Tan, Veronika Stoianova, Christian Merten · 1 voice
Biochemistry, Genetics and Molecular Biology · Chemistry · #Analytical Chemistry and Chromatography #Metabolomics and Mass Spectrometry Studies #Molecular spectroscopy and chirality

paper · pdf · doi:10.1039/d5cp02728d

openalex publication_date 2025/01/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/09

Abstract

Extracting conformational preferences and preferred solvation states from MD simulations aids the micro-solvation basis analysis of VCD spectra.

Citations

• Effect of the damping function in dispersion corrected density functional theory

Discussions

• Finally out in @pccp.rsc.org: Our VCD study on Ace-Trp-nPr describes an approach to guide the micro-solvation based spectra analyis with data on conformational and solvation preferences obtained from [bsky, 3 points, 0 comments]

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