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Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
08:49

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

Published on: June 20, 2025

Computational study of small molecule binding for both tethered and free conditions

F Marty Ytreberg1

  • 1Department of Physics, University of Idaho, Moscow, Idaho 83844-0903, USA. ytreberg@uidaho.edu

The Journal of Physical Chemistry. B
|April 8, 2010
PubMed
Abstract

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