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Journal of Chemical Theory and Computation|February 21, 2023
Utilizing Machine Learning to Greatly Expand the Range and Accuracy of Bottom-Up Coarse-Grained Models through Virtual ParticlesPatrick G Sahrmann, Timothy D Loose, Aleksander E P Durumeric, et al.Langmuir : the ACS Journal of Surfaces and Colloids|June 21, 2022
Peptide Mimic of the Marine Sponge Protein Silicatein Fabricates Ultrathin Nanosheets of Silicon Dioxide and Titanium DioxideKris Strunge, Nina Hoinkis, Helmut Lutz, et al.Biophysical Journal|October 24, 2006
Charge delocalization in proton channels, I: the aquaporin channels and proton blockageHanning Chen, Boaz Ilan, Yujie Wu, et al.Proceedings of the National Academy of Sciences of the United States of America|August 29, 2018
Entropic forces drive clustering and spatial localization of influenza A M2 during viral buddingJesper J Madsen, John M A Grime, Jeremy S Rossman, et al.Journal of the American Chemical Society|August 7, 2025
From Molecular Dynamics to the Conductivity of Sulfuric Acid: Ultrafast Optical Kerr Effect Experiments and Ab Initio Molecular Dynamics SimulationsLaura Kacenauskaite, Sijia Chen, Max Moncada Cohen, et al.Journal of the American Chemical Society|February 21, 2007
Storage of an excess proton in the hydrogen-bonded network of the d-pathway of cytochrome C oxidase: identification of a protonated water clusterJiancong Xu, Martyn A Sharpe, Ling Qin, et al.The Journal of Chemical Physics|August 1, 2016
On the representability problem and the physical meaning of coarse-grained modelsJacob W Wagner, James F Dama, Aleksander E P Durumeric, et al.The Journal of Chemical Physics|October 10, 2019
Compatible observable decompositions for coarse-grained representations of real molecular systemsThomas Dannenhoffer-Lafage, Jacob W Wagner, Aleksander E P Durumeric, et al.The Journal of Chemical Physics|September 3, 2017
Delocalization and stretch-bend mixing of the HOH bend in liquid waterWilliam B Carpenter, Joseph A Fournier, Rajib Biswas, et al.Proceedings of the National Academy of Sciences of the United States of America|September 11, 2024
Quantitative insights into the mechanism of proton conduction and selectivity for the human voltage-gated proton channel Hv1Yu Liu, Chenghan Li, J Alfredo Freites, et al.Pageof 60