Pär Söderhjelm
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- 2018
-
Mark
The spatial range of protein hydration
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- Contribution to journal › Article
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Mark
Can MM/GBSA calculations be sped up by system truncation?
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- Contribution to journal › Article
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Mark
Prediction of binding poses to FXR using multi-targeted docking combined with molecular dynamics and enhanced sampling
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- Contribution to journal › Article
- 2017
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Mark
Resolving the problem of trapped water in binding cavities : prediction of host–guest binding free energies in the SAMPL5 challenge by funnel metadynamics
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- Contribution to journal › Article
- 2016
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Mark
Flap Dynamics in Aspartic Proteases : A Computational Perspective
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- Contribution to journal › Scientific review
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Mark
Ligand-Binding Affinity Estimates Supported by Quantum-Mechanical Methods
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- Contribution to journal › Article
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Mark
Converging ligand-binding free energies obtained with free-energy perturbations at the quantum mechanical level
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- Contribution to journal › Article
- 2015
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Mark
Binding affinities by alchemical perturbation using QM/MM with a large QM system and polarizable MM model.
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- Contribution to journal › Article
- 2014
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Mark
Prediction of SAMPL4 host-guest binding affinities using funnel metadynamics
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- Contribution to journal › Article
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Mark
Free-energy perturbation and quantum mechanical study of SAMPL4 octa-acid host-guest binding energies.
(
- Contribution to journal › Article