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https://doi.org/10.60893/figshare.jcp.30203527

journal contribution

posted on 2025-10-09, 12:08 authored by Khezar Saeed, Kris Strunge, Rolf Mertig, Steven Roeters, Tobias Weidner

List of parameters for spectral calculations, instructions for troubleshooting PDB files and instructions for orienting proteins in VMD.

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Related Materials

1.
DOI - Is supplement to <em>ViSCa</em>: A Computational Toolbox for Vibrational Spectral Calculations – Application to Sum Frequency Generation Spectroscopy of Proteins

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Chemical sciences

Keywords

SFG spectroscopy Spectral calculation Proteins

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