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Found 2 result(s)

Astrophysics Source Code Library

ASCL

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The Astrophysics Source Code Library (ASCL) is a free online registry for source codes of interest to astronomers and astrophysicists and lists codes that have been used in research that has appeared in, or been submitted to, peer-reviewed publications. The ASCL is citable by using the unique ascl ID assigned to each code. The ascl ID can be used to link to the code entry by prefacing the number with ascl.net (i.e., ascl.net/1201.001).

PSnpBind

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PSnpBind is a large database of protein–ligand complexes covering a wide range of binding pocket mutations and small molecules’ landscape. This database can be used as a source of data for different types of studies, for example, developing machine learning algorithms to predict protein–ligand affinity or mutation's effect on it which requires an extensive amount of data with a wide coverage of mutation types and small molecules. Also, studies of protein-ligand interactions and conformer orientation changes across different mutated versions of a protein can be established using data from PSnpBind.