An efficient molecular docking using conformational space annealing

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Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on: June 20, 2025

Kyoungrim Lee1, Cezary Czaplewski, Seung-Yeon Kim

  • 1School of Computational Sciences, Korea Institute for Advanced Study, 207-43 Cheongnyangni 2-dong, Dongdaemun-gu, Seoul, South Korea.

Journal of Computational Chemistry
|November 13, 2004
PubMed

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