Machine Learning-Guided Approach for Studying Solvation Environments
Basdogan, Yasemin, Groenenboom, Mitchell C, Henderson, Ethan, De, Sandip, Rempe, Susan B, Keith, John A
Published in Journal of chemical theory and computation (14.01.2020)
Published in Journal of chemical theory and computation (14.01.2020)
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Journal Article
Thermodynamics of ion binding and occupancy in potassium channels
Jing, Zhifeng, Rackers, Joshua A, Pratt, Lawrence R, Liu, Chengwen, Rempe, Susan B, Ren, Pengyu
Published in Chemical science (Cambridge) (30.06.2021)
Published in Chemical science (Cambridge) (30.06.2021)
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Journal Article
Ultra-thin enzymatic liquid membrane for CO2 separation and capture
Fu, Yaqin, Jiang, Ying-Bing, Dunphy, Darren, Xiong, Haifeng, Coker, Eric, Chou, Stanley S., Zhang, Hongxia, Vanegas, Juan M., Croissant, Jonas G., Cecchi, Joseph L., Rempe, Susan B., Brinker, C. Jeffrey
Published in Nature communications (07.03.2018)
Published in Nature communications (07.03.2018)
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Journal Article
Hydration Mimicry by Membrane Ion Channels
Chaudhari, Mangesh I, Vanegas, Juan M, Pratt, L.R, Muralidharan, Ajay, Rempe, Susan B
Published in Annual review of physical chemistry (20.04.2020)
Published in Annual review of physical chemistry (20.04.2020)
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Journal Article
Molecular Dynamics of Lithium Ion Transport in a Model Solid Electrolyte Interphase
Muralidharan, Ajay, Chaudhari, Mangesh I, Pratt, Lawrence R, Rempe, Susan B
Published in Scientific reports (16.07.2018)
Published in Scientific reports (16.07.2018)
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Journal Article
K +/Na + Selectivity in K Channels and Valinomycin: Over-coordination Versus Cavity-size constraints
Varma, Sameer, Sabo, Dubravko, Rempe, Susan B.
Published in Journal of molecular biology (08.02.2008)
Published in Journal of molecular biology (08.02.2008)
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Journal Article
Molecular Cage Reports on Its Contents: Spectroscopic Signatures of Cryo-Cooled K+- and Ba2+-Benzocryptand Complexes
Foley, Casey D., Allen, Cole D., Au, Kendrew, Lee, Chin, Rempe, Susan B., Ren, Pengyu, Sibert, Edwin L., Zwier, Timothy S.
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.08.2023)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.08.2023)
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Journal Article
Role of methyl-induced polarization in ion binding
Rossi, Mariana, Tkatchenko, Alexandre, Rempe, Susan B., Varma, Sameer
Published in Proceedings of the National Academy of Sciences - PNAS (06.08.2013)
Published in Proceedings of the National Academy of Sciences - PNAS (06.08.2013)
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Journal Article
Enhancing Paraoxon Binding to Organophosphorus Hydrolase Active Site
El Khoury, Léa, Mobley, David L, Ye, Dongmei, Rempe, Susan B
Published in International journal of molecular sciences (23.11.2021)
Published in International journal of molecular sciences (23.11.2021)
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Journal Article
Ab initio molecular dynamics calculations of ion hydration free energies
Leung, Kevin, Rempe, Susan B, von Lilienfeld, O Anatole
Published in The Journal of chemical physics (28.05.2009)
Published in The Journal of chemical physics (28.05.2009)
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Journal Article
Modeling Electrochemical Decomposition of Fluoroethylene Carbonate on Silicon Anode Surfaces in Lithium Ion Batteries
Leung, Kevin, Rempe, Susan B., Foster, Michael E., Ma, Yuguang, Martinez del la Hoz, Julibeth M., Sai, Na, Balbuena, Perla B.
Published in Journal of the Electrochemical Society (01.01.2014)
Published in Journal of the Electrochemical Society (01.01.2014)
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Journal Article
Atomistic Study of Intramolecular Interactions in the Closed-State Channelrhodopsin Chimera, C1C2
VanGordon, Monika R., Gyawali, Gaurav, Rick, Steven W., Rempe, Susan B.
Published in Biophysical journal (14.03.2017)
Published in Biophysical journal (14.03.2017)
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