An overview of the SAMPL8 host–guest binding challenge von Amezcua, Martin, Setiadi, Jeffry, Ge, Yunhui, Mobley, David L.

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A simple, parameter-free method for computing solvation free energies of ions von Setiadi, Jeffry, Kuyucak, Serdar

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Computational Investigation of the Effect of Lipid Membranes on Ion Permeation in Gramicidin A von Setiadi, Jeffry, Kuyucak, Serdar

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Free-Energy Simulations Resolve the Low-Affinity Na+-High-Affinity Asp Binding Paradox in GltPh von Setiadi, Jeffry, Kuyucak, Serdar

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Computational Studies of Glutamate Transporters von Setiadi, Jeffry, Heinzelmann, Germano, Kuyucak, Serdar

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Elucidation of the Role of a Conserved Methionine in Glutamate Transporters and Its Implication for Force Fields von Setiadi, Jeffry, Kuyucak, Serdar

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The SAMPL9 host-guest blind challenge: an overview of binding free energy predictive accuracy von Amezcua, Martin, Setiadi, Jeffry, Mobley, David L

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Damping of Plasmons of Closely Coupled Sphere Chains Due to Disordered Gaps von Scheurer, Mathias S, Arnold, Matthew D, Setiadi, Jeffry, Ford, Michael J

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Free-Energy Simulations Resolve the Low-Affinity Na + -High-Affinity Asp Binding Paradox in Glt Ph von Setiadi, Jeffry, Kuyucak, Serdar

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The temperature-dependence of host-guest binding thermodynamics: experimental and simulation studies von Grimm, Laura M, Setiadi, Jeffry, Tkachenko, Boryslav, Schreiner, Peter R, Gilson, Michael K, Biedermann, Frank

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Li-Ion Adsorption and Diffusion on Two-Dimensional Silicon with Defects: A First Principles Study von Setiadi, Jeffry, Arnold, Matthew D, Ford, Michael J

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Tuning Potential Functions to Host–Guest Binding Data von Setiadi, Jeffry, Boothroyd, Simon, Slochower, David R., Dotson, David L., Thompson, Matthew W., Wagner, Jeffrey R., Wang, Lee-Ping, Gilson, Michael K.

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Molecular Dynamics and Theratyping in Airway and Gut Organoids Reveal R352Q-CFTR Conductance Defect von Wong, Sharon L, Awatade, Nikhil T, Astore, Miro A, Allan, Katelin M, Carnell, Michael J, Slapetova, Iveta, Chen, Po-Chia, Setiadi, Jeffry, Pandzic, Elvis, Fawcett, Laura K, Widger, John R, Whan, Renee M, Griffith, Renate, Ooi, Chee Y, Kuyucak, Serdar, Jaffe, Adam, Waters, Shafagh A

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A theoretical investigation on the aminolysis of pyromellitic and 1,4,5,8-naphthalenetetracarboxylic dianhydrides von Schneider, Felipe S.S., Setiadi, Jeffry, Felisberti, Maria Isabel, Vazquez, Pedro A.M., da Conceição, Thiago Ferreira, Heinzelmann, Germano, Caramori, Giovanni Finoto

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Structures For "A Theoretical Investigation On The Aminolysis Of Pyromellitic And 1,4,5,8- Naphthalenetetracarboxylic Dianhydrides" von Schneider, Felipe S. S., Setiadi, Jeffry, Felisberti, Maria Isabel, Vazquez, Pedro A. M., Thiago Ferreira Da Conceição, Heinzelmann, Germano, Caramori, Giovanni Finoto

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Robust parameter design to minimize warpage in the injection molding process using the Taguchi method von Simbolon, Jeffry Heriyanto, Aminnudin, Suprayitno

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