Modeling ligand–target binding with enhanced sampling simulations. Comitani, F. & Gervasio, F. L Biomolecular Simulations in Structure-Based Drug Discovery, Wiley-VCH Verlag GmbH & Co. KGaA Weinheim, Germany, 2018. bibtex @article{comitani2018modeling,
title={Modeling ligand--target binding with enhanced sampling simulations},
author={Comitani, Federico and Gervasio, Francesco L},
journal={Biomolecular Simulations in Structure-Based Drug Discovery},
pages={43--66},
year={2018},
publisher={Wiley-VCH Verlag GmbH \& Co. KGaA Weinheim, Germany}
}
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