A general new method for calculating the molecular nonpolar surface for analysis of LC-MS data

Rabin Dhakal, Bhumika Jayee, Adelia Aquino, Yehia Mechref, Hans Lischka, Reed Nieman, Daniel C.A. Valente, Thiago M. Cardozo, Amna Aqdas, Wenjing Peng, Hanna Moussa

Research output: Contribution to journalArticlepeer-review

3 Scopus citations

Abstract

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Original languageEnglish
Article number116495
Pages (from-to)116495
JournalInternational Journal of Mass Spectrometry
Volume461
DOIs
StatePublished - Mar 2021

Keywords

  • Analysis of LC-MS data
  • Continuum solvation
  • Nonpolar surface area
  • Solvent accessible surface

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