Dynamic Structural Differences between Human and Mouse STING Lead to Differing Sensitivity to DMXAA von Shih, Amy Y., Damm-Ganamet, Kelly L., Mirzadegan, Taraneh

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Impact of Protein Preparation on Resulting Accuracy of FEP Calculations von Shih, Amy Y, Hack, Michael, Mirzadegan, Taraneh

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Maturation of high-density lipoproteins von Shih, Amy Y., Sligar, Stephen G., Schulten, Klaus

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Molecular Dynamics Simulations of Discoidal Bilayers Assembled from Truncated Human Lipoproteins von Shih, Amy Y., Denisov, Ilia G., Phillips, James C., Sligar, Stephen G., Schulten, Klaus

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Predicting the Binding of Fatty Acid Amide Hydrolase Inhibitors by Free Energy Perturbation von Saha, Arjun, Shih, Amy Y, Mirzadegan, Taraneh, Seierstad, Mark

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Input Pose is Key to Performance of Free Energy Perturbation: Benchmarking with Monoacylglycerol Lipase von Ohadi, Donya, Kumar, Kiran, Ravula, Suchitra, DesJarlais, Renee L., Seierstad, Mark J., Shih, Amy Y., Hack, Michael D., Schiffer, Jamie M.

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pH Dependence of a GPR4 Selective Antagonist Hampers Its Therapeutic Potential von Stalewski, Jacek, Shih, Amy Y., Papazyan, Romeo, Ramirez, Jocelyn, Ibanez, Gerardo, Hsiao, Peng, Yue, Yong, Yin, Jun, Badger, Calen, Wu, Shije, Ueki, Akemi, Fuchs, Bryan C., Rives, Marie-Laure

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Coarse Grained Protein−Lipid Model with Application to Lipoprotein Particles von Shih, Amy Y, Arkhipov, Anton, Freddolino, Peter L, Schulten, Klaus

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Assembly of lipoprotein particles revealed by coarse-grained molecular dynamics simulations von Shih, Amy Y., Freddolino, Peter L., Arkhipov, Anton, Schulten, Klaus

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Breaking the Glass Ceiling in Simulation and Modeling: Women in Pharmaceutical Discovery von Damm-Ganamet, Kelly L, DesJarlais, Renee L, Marrone, Tami, Shih, Amy Y, Schiffer, Jamie M, Perez-Benito, Laura, Mirzadegan, Taraneh

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Development of small molecule inhibitors of natural killer group 2D receptor (NKG2D) von Wang, Jocelyn, Nakafuku, Kohki M., Ziff, Jeannie, Gelin, Christine F., Gholami, Hadi, Thompson, Aaron A., Karpowich, Nathan K., Limon, Luis, Coate, Heather R., Damm-Ganamet, Kelly L., Shih, Amy Y., Grant, Joanna C., Côte, Marjorie, Mak, Puiying A., Pascual, Heather A., Rives, Marie-Laure, Edwards, James P., Venable, Jennifer D., Venkatesan, Hariharan, Shi, Zhicai, Allen, Samantha J., Sharma, Sujata, Kung, Pei-Pei, Shireman, Brock T.

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Breaking the Glass Ceiling in Simulation and Modeling: Women in Pharmaceutical Discovery: Miniperspective von Damm-Ganamet, Kelly L, DesJarlais, Renee L, Marrone, Tami, Shih, Amy Y, Schiffer, Jamie M, Perez-Benito, Laura, Mirzadegan, Taraneh

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Analysis of the Structural and Molecular Basis of Voltage-sensitive Sodium Channel Inhibition by the Spider Toxin Huwentoxin-IV (μ-TRTX-Hh2a) von Minassian, Natali A., Gibbs, Alan, Shih, Amy Y., Liu, Yi, Neff, Robert A., Sutton, Steven W., Mirzadegan, Tara, Connor, Judith, Fellows, Ross, Husovsky, Matthew, Nelson, Serena, Hunter, Michael J., Flinspach, Mack, Wickenden, Alan D.

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Identification of small-molecule protein-protein interaction inhibitors for NKG2D von Thompson, Aaron A, Harbut, Michael B, Kung, Pei-Pei, Karpowich, Nathan K, Branson, Jeffrey D, Grant, Joanna C, Hagan, Deborah, Pascual, Heather A, Bai, Guoyun, Zavareh, Reza Beheshti, Coate, Heather R, Collins, Bernard C, Côte, Marjorie, Gelin, Christine F, Damm-Ganamet, Kelly L, Gholami, Hadi, Huff, Adam R, Limon, Luis, Lumb, Kevin J, Mak, Puiying A, Nakafuku, Kohki M, Price, Edmund V, Shih, Amy Y, Tootoonchi, Mandana, Vellore, Nadeem A, Wang, Jocelyn, Wei, Na, Ziff, Jeannie, Berger, Scott B, Edwards, James P, Gardet, Agnès, Sun, Siquan, Towne, Jennifer E, Venable, Jennifer D, Shi, Zhicai, Venkatesan, Hariharan, Rives, Marie-Laure, Sharma, Sujata, Shireman, Brock T, Allen, Samantha J

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Disassembly of Nanodiscs with Cholate von Shih, Amy Y., Freddolino, Peter L., Sligar, Stephen G., Schulten, Klaus

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Comprehensive engineering of the tarantula venom peptide huwentoxin-IV to inhibit the human voltage-gated sodium channel hNav1.7 von Neff, Robert A., Flinspach, Mack, Gibbs, Alan, Shih, Amy Y., Minassian, Natali A., Liu, Yi, Fellows, Ross, Libiger, Ondrej, Young, Stephanie, Pennington, Michael W., Hunter, Michael J., Wickenden, Alan D.

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Comprehensive engineering of the tarantula venom peptide huwentoxin-IV to inhibit the human voltage-gated sodium channel hNa v 1.7 von Neff, Robert A, Flinspach, Mack, Gibbs, Alan, Shih, Amy Y, Minassian, Natali A, Liu, Yi, Fellows, Ross, Libiger, Ondrej, Young, Stephanie, Pennington, Michael W, Hunter, Michael J, Wickenden, Alan D

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Lipid−Protein Correlations in Nanoscale Phospholipid Bilayers Determined by Solid-State Nuclear Magnetic Resonance von Kijac, Aleksandra, Shih, Amy Y, Nieuwkoop, Andrew J, Schulten, Klaus, Sligar, Stephen G, Rienstra, Chad M

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Molecular Models Need to be Tested: The Case of a Solar Flares Discoidal HDL Model von Shih, Amy Y., Sligar, Stephen G., Schulten, Klaus

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Assembly of Lipids and Proteins into Lipoprotein Particles von Shih, Amy Y, Arkhipov, Anton, Freddolino, Peter L, Sligar, Stephen G, Schulten, Klaus

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