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ORCID"Resolving the problem of trapped water in binding cavities: prediction of ..."
Soumendranath Bhakat, Pär Söderhjelm (2017)
- Soumendranath Bhakat
, Pär Söderhjelm:
Resolving the problem of trapped water in binding cavities: prediction of host-guest binding free energies in the SAMPL5 challenge by funnel metadynamics. J. Comput. Aided Mol. Des. 31(1): 119-132 (2017)
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