Using parallelized incremental meta-docking can solve the conformational sampling issue when docking large ligands to proteins

Docking large ligands, and especially peptides, to protein receptors is still considered a challenge in computational structural biology. Besides the issue of accurately scoring the binding modes of a protein-...

Source: BMC Cell Biology - September 5, 2019 Category: Cytology Authors: Didier Devaurs, Dinler A Antunes, Sarah Hall-Swan, Nicole Mitchell, Mark Moll, Gregory Liz ée and Lydia E Kavraki Tags: Research article Source Type: research