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Pär Söderhjelm

2PUBLICATIONS

0CO-AUTHORS

Biomolecular modelling and designChemical thermodynamics and energetics

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Publications (2)

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|Oct 21, 2017

Prediction of binding poses to FXR using multi-targeted docking combined with molecular dynamics and enhanced sampling.

Soumendranath Bhakat, Emil Åberg, Pär Söderhjelm

|Aug 31, 2016

Resolving the problem of trapped water in binding cavities: prediction of host-guest binding free energies in the SAMPL5 challenge by funnel metadynamics.

Soumendranath Bhakat, Pär Söderhjelm

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