Combined Free-Energy Calculation and Machine Learning Methods for Understanding Ligand Unbinding Kinetics

Magd Badaoui, Pedro J. Buigues, Dénes Berta, Gaurav M. Mandana, Hankang Gu, Tamás Földes, Callum J. Dickson, Viktor Hornak, Mitsunori Kato, Carla Molteni, Simon Parsons, Edina Rosta*

*Corresponding author for this work

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22 Citations (Scopus)
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