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Gaurav M. Mandana
Gaurav M. Mandana
King's College London
Drug discovery
String (computer science)
Reaction coordinate
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Machine learning
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Combined free energy calculation and machine learning methods for understanding ligand unbinding kinetics
2021
bioRxiv
Magd Badaoui
Pedro J Buigues
Dénes Berta
Gaurav M. Mandana
Hankang Gu
Callum J. Dickson
Viktor Hornak
Mitsunori Kato
Carla Molteni
Simon Parsons
Edina Rosta
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