Prediction of binding affinity and enthalpy of CB7 with alkaloids by attach-pull-release molecular dynamics simulations study
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Published:2024-09
Issue:
Volume:131
Page:108810
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ISSN:1093-3263
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Container-title:Journal of Molecular Graphics and Modelling
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language:en
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Short-container-title:Journal of Molecular Graphics and Modelling
Author:
Wu Xiru,
Wang Lingzhi,
Qin Yuan,
Gao Yalei,
Yang Min,
Cao Pei,
Liu KaiORCID