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Published in 2020 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26048
Abstract: Evaluation of ligand‐binding affinity using the atomic coordinates of a protein‐ligand complex is a challenge from the computational point of view. The availability of crystallographic structures of complexes with binding affinity data opens the possibility…
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Keywords:
methodology;
taba tool;
affinity;
tool analyze ... See more keywords