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Biological and Medicinal Chemistry

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Physical Chemistry

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Theoretical and Computational Chemistry

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Working Paper

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Over 3 years

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Juergen Koefinger

3 results in Authors: Juergen Koefinger

Theoretical and Computational Chemistry

MDBenchmark: A Toolkit to Optimize the Performance of Molecular Dynamics Simulations

Michael Gecht, Marc Siggel, Max Linke, Gerhard Hummer, Juergen Koefinger

984

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Physical Chemistry

Quantifying Protein-Protein Interactions in Molecular Simulations

Alfredo Jost Lopez, Patrick K. Quoika, Max Linke, Gerhard Hummer, Juergen Koefinger

925

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Biological and Medicinal Chemistry

Efficient Ensemble Refinement by Reweighting

Juergen Koefinger, Lukas S. Stelzl, Klaus Reuter, Cesar Allande, Katrin Reichel, Gerhard Hummer

1,264

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