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Updated: Jun 12, 2026

Analyzing Protein Architectures and Protein-Ligand Complexes by Integrative Structural Mass Spectrometry
Published on: October 15, 2018
New improvements in automatic structure elucidation using the LSD (Logic for Structure Determination) and the
Bertrand Plainchont1, Jean-Marc Nuzillard, Gilberto V Rodrigues
1UMR 6229, University of Reims, Moulin de la Housse, BP 1039, 51687 REIMS Cedex 2, France.
Abstract:
This article describes the integration of the LSD (Logic for Structure Determination) and SISTEMAT expert systems that were both designed for the computer-assisted structure elucidation of small organic molecules. A first step has been achieved towards the linking of the SISTEMAT database with the LSD structure generator. The skeletal descriptions found by the SISTEMAT programs are now easily transferred to LSD as substructural constraints. Examples of the synergy between these expert systems are given for recently reported natural products.
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