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Theoretical and Computational Chemistry

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Jürgen Köfinger

4 results in Authors: Jürgen Köfinger

Theoretical and Computational Chemistry

Encoding prior knowledge in ensemble refinement

Jürgen Köfinger, Gerhard Hummer

Version 3 posted 20 February 2024

359

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Theoretical and Computational Chemistry

Complexes++: Efficient and versatile coarse-grained simulations of protein complexes and their dense solutions

Max Linke, Patrick Quoika, Berenger Bramas, Jürgen Köfinger, Gerhard Hummer

Version 1 posted 26 July 2022

287

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Theoretical and Computational Chemistry

Empirical optimization of molecular simulation force fields by Bayesian inference

Jürgen Köfinger, Gerhard Hummer

Version 2 posted 10 August 2021

692

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Theoretical and Computational Chemistry

Powerful Statistical Tests for Ordered Data

Jürgen Köfinger, Gerhard Hummer

Version 3 posted 14 July 2021

827

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1

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