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Biological and Medicinal Chemistry

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Physical Chemistry

(3)

Theoretical and Computational Chemistry

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Working Paper

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Jeffery Klauda

3 results in Authors: Jeffery Klauda

Physical Chemistry

Semi-Automated Optimization of the CHARMM36 Lipid Force Field to Include Explicit Treatment of Long-Range Dispersion

Yalun Yu, Andreas Kramer, Andrew Simmonett, Rick Venable, Alex MacKerell, Jeffery Klauda, Richard W. Pastor, Bernard Brooks

Version 1 posted 30 December 2020

641

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Physical Chemistry

CHARMM36 Lipid Force Field with Explicit Treatment of Long-Range Dispersion: Parametrization and Validation for PE, PG, and Ether Lipids

Yalun Yu, Andreas Kramer, Rick Venable, Bernard Brooks, Jeffery Klauda, Richard W. Pastor

Version 1 posted 30 December 2020

516

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Physical Chemistry

Leaflet Asymmetry Modeling in Lipid Composition of Escherichia coli Cytoplasmic Membrane

Min-Kang Hsieh, Jeffery Klauda

Version 1 posted 05 August 2021

632

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