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Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids
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Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids

Article DOI: 10.3791/63632-v • 08:21 min • April 13th, 2022
April 13th, 2022 •
1, 2
1Biological Sciences Department, University of Maryland-Baltimore County, 2Institute for Inorganic and Analytical Chemistry, Friedrich-Schiller University

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The purpose of this protocol is to efficiently generate and curate small-molecule structure libraries using open-source software.

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Curation Computational Chemical Libraries Alpha-amino Acids Open Source Software Flexibility Drug Discovery Applications In Silico Screening Java Basic Coding Project Directory Maygen Anaconda RDKit Environment Jupyter Notebooks Substrate Patterns Command Prompt
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