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How does a small molecule bind at a cryptic binding site?
Yibing Shan
Venkatesh P. Mysore
Abba E. Leffler
Eric T. Kim
Shiori Sagawa
David E. Shaw
Published in:
PLoS Comput. Biol. (2022)
Keyphrases
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binding sites
dna sequences
similarity measure
upper bound
sequence data
transcription factors
drug discovery
virtual screening