Transcription of LigandScout User Manual
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LigandScout User Manual
LigandScout User ManualLigandScout User ManualiiiTable of Contents1. Introduction to LigandScout .. What's New in LigandScout .. Installing and Starting LigandScout .. Visual Semantics .. LigandScout Graphical User Interface .. 92. File Handling, Data Management and Networking .. Importing and Exporting Files .. Retrieving PDB Complexes Online .. Local and Shared Repository .. Handling the Repository .. Sessions .. Handling Sessions .. Networking .. iworker .. Network Monitor .. 213. LigandScout Perspectives.
Analysis of the conformational space of ligands, clustering and alignment methods help to search for common feature arrangements. This is especially useful when binding site interactions are not known. Reaching a consensus pattern from a set of ligands binding to one particular macromolecule is a further step in drug development.
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