Harnessing deep learning for enhanced ligand docking.

Ligand docking (LD), a technology for predicting protein-ligand (PL)-binding conformations and strengths, plays key roles in virtual screening (VS). However, the accuracy and speed of current LD methodologies remain suboptimal. Here, we discuss how deep learning (DL) could help to bridge this gap by examining recent advancements and projecting future trends. Copyright © 2023 Elsevier Ltd. All rights reserved.

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Xujun Zhang, Chao Shen, Chang-Yu Hsieh, Tingjun Hou. Harnessing deep learning for enhanced ligand docking. Trends in pharmacological sciences. 2024 Feb;45(2):103-106

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PMID: 38160084

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