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Journal of Chemical Theory and Computation|February 1, 2019
Systematic Coarse-Grained Lipid Force Fields with Semiexplicit Solvation via Virtual SitesAlexander J Pak, Thomas Dannenhoffer-Lafage, Jesper J Madsen, et al.Journal of Chemical Theory and Computation|November 27, 2015
Distributed Gaussian Valence Bond Surface Derived from Ab Initio CalculationsJason L Sonnenberg, Kim F Wong, Gregory A Voth, et al.Journal of Molecular Biology|October 31, 2006
Atomistic and coarse-grained analysis of double spectrin repeat units: the molecular origins of flexibilityDina T Mirijanian, Jhih-Wei Chu, Gary S Ayton, et al.Journal of the American Chemical Society|October 27, 2016
The Origin of Coupled Chloride and Proton Transport in a Cl-/H+ AntiporterSangyun Lee, Heather B Mayes, Jessica M J Swanson, et al.Proceedings of the National Academy of Sciences of the United States of America|July 9, 2024
Mechanism of phosphate release from actin filamentsYihang Wang, Jiangbo Wu, Vilmos Zsolnay, et al.The Journal of Physical Chemistry. B|November 30, 2023
Coarse-Graining with Equivariant Neural Networks: A Path Toward Accurate and Data-Efficient ModelsTimothy D Loose, Patrick G Sahrmann, Thomas S Qu, et al.Biophysical Journal|March 29, 2024
Kinetic network modeling with molecular simulation inputs: A proton-coupled phosphate symporterYu Liu, Chenghan Li, Meghna Gupta, et al.The Journal of Physical Chemistry. B|November 10, 2017
Mechanism of Competitive Inhibition and Destabilization of Acidothermus cellulolyticus Endoglucanase 1 by Ionic LiquidsSamantha R Summers, K G Sprenger, Jim Pfaendtner, et al.The Journal of Physical Chemistry. B|March 31, 2007
Multiscale coarse-graining and structural correlations: connections to liquid-state theoryW G Noid, Jhih-Wei Chu, Gary S Ayton, et al.The Journal of Chemical Physics|July 23, 2004
A new perspective on the coarse-grained dynamics of fluidsGary S Ayton, Harald L Tepper, Dina T Mirijanian, et al.Pageof 60