Accelerating Cryptic Pocket Discovery Using AlphaFold

Meller, A; Bhakat, S; Solieva, S; Bowman, GR

Bhakat, S; Bowman, GR (通讯作者),Washington Univ, Dept Biochem & Mol Biophys, St Louis, MO 63110 USA.;Bhakat, S; Bowman, GR (通讯作者),Univ Penn, Dept Biochem & Biophys, Philadelphia, PA 19104 USA.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2023; 19 (14): 4355

Abstract

Cryptic pockets, or pockets absent in ligand-free, experimentally determined structures, hold great potential as drug targets. However, cryptic pocket......

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