Positive Allosteric Modulators of GluN2A-Containing NMDARs with Distinct Modes of Action and Impacts on Circuit Function von Hackos, David H., Lupardus, Patrick J., Grand, Teddy, Chen, Yelin, Wang, Tzu-Ming, Reynen, Paul, Gustafson, Amy, Wallweber, Heidi J.A., Volgraf, Matthew, Sellers, Benjamin D., Schwarz, Jacob B., Paoletti, Pierre, Sheng, Morgan, Zhou, Qiang, Hanson, Jesse E.

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GluN2A NMDA Receptor Enhancement Improves Brain Oscillations, Synchrony, and Cognitive Functions in Dravet Syndrome and Alzheimer’s Disease Models von Hanson, Jesse E., Ma, Keran, Elstrott, Justin, Weber, Martin, Saillet, Sandrine, Khan, Abdullah S., Simms, Jeffrey, Liu, Benjamin, Kim, Thomas A., Yu, Gui-Qiu, Chen, Yelin, Wang, Tzu-Ming, Jiang, Zhiyu, Liederer, Bianca M., Deshmukh, Gauri, Solanoy, Hilda, Chan, Connie, Sellers, Benjamin D., Volgraf, Matthew, Schwarz, Jacob B., Hackos, David H., Weimer, Robby M., Sheng, Morgan, Gill, T. Michael, Scearce-Levie, Kimberly, Palop, Jorge J.

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Utilizing Molecular Simulations to Examine Nanosuspension Stability von Latham, Andrew P, Levy, Elizabeth S, Sellers, Benjamin D, Leung, Dennis H

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Computationally Discovered Potentiating Role of Glycans on NMDA Receptors von Sinitskiy, Anton V., Stanley, Nathaniel H., Hackos, David H., Hanson, Jesse E., Sellers, Benjamin D., Pande, Vijay S.

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A Comparison of Quantum and Molecular Mechanical Methods to Estimate Strain Energy in Druglike Fragments von Sellers, Benjamin D, James, Natalie C, Gobbi, Alberto

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Towards an improved understanding of drug excipient interactions to enable rapid optimization of nanosuspension formulations von Ferrar, Joseph A., Sellers, Benjamin D., Chan, Connie, Leung, Dennis H.

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Toward better refinement of comparative models: Predicting loops in inexact environments von Sellers, Benjamin D., Zhu, Kai, Zhao, Suwen, Friesner, Richard A., Jacobson, Matthew P.

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Conformation Switching of Clathrin Light Chain Regulates Clathrin Lattice Assembly von Wilbur, Jeremy D., Hwang, Peter K., Ybe, Joel A., Lane, Michael, Sellers, Benjamin D., Jacobson, Matthew P., Fletterick, Robert J., Brodsky, Frances M.

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Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors von Parr, Brendan T, Pastor, Richard, Sellers, Benjamin D, Pei, Zhonghua, Jaipuri, Firoz A, Castanedo, Georgette M, Gazzard, Lewis, Kumar, Sanjeev, Li, Xiaokai, Liu, Wen, Mendonca, Rohan, Pavana, Roheeth K, Potturi, Hima, Shao, Cheng, Velvadapu, Venkata, Waldo, Jesse P, Wu, Guosheng, Yuen, Po-wai, Zhang, Zuhui, Zhang, Yamin, Harris, Seth F, Oh, Angela J, DiPasquale, Antonio, Dement, Kevin, La, Hank, Goon, Leanne, Gustafson, Amy, VanderPorten, Erica C, Mautino, Mario R, Liu, Yichin

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Comparison of logP and logD correction models trained with public and proprietary data sets von Aliagas, Ignacio, Gobbi, Alberto, Lee, Man-Ling, Sellers, Benjamin D.

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Energy-Based Analysis and Prediction of the Orientation between Light- and Heavy-Chain Antibody Variable Domains von Narayanan, Arjun, Sellers, Benjamin D., Jacobson, Matthew P.

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chemalot and chemalot_knime: Command line programs as workflow tools for drug discovery von Lee, Man-Ling, Aliagas, Ignacio, Feng, Jianwen A., Gabriel, Thomas, O’Donnell, T. J., Sellers, Benjamin D., Wiswedel, Bernd, Gobbi, Alberto

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Improving the species cross-reactivity of an antibody using computational design von Farady, Christopher J., Sellers, Benjamin D., Jacobson, Matthew P., Craik, Charles S.

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Antibodies as a model system for comparative model refinement von Sellers, Benjamin D., Nilmeier, Jerome P., Jacobson, Matthew P.

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Structure of the essential inner membrane lipopolysaccharide–PbgA complex von Clairfeuille, Thomas, Buchholz, Kerry R., Li, Qingling, Verschueren, Erik, Liu, Peter, Sangaraju, Dewakar, Park, Summer, Noland, Cameron L., Storek, Kelly M., Nickerson, Nicholas N., Martin, Lynn, Dela Vega, Trisha, Miu, Anh, Reeder, Janina, Ruiz-Gonzalez, Maria, Swem, Danielle, Han, Guanghui, DePonte, Daniel P., Hunter, Mark S., Gati, Cornelius, Shahidi-Latham, Sheerin, Xu, Min, Skelton, Nicholas, Sellers, Benjamin D., Skippington, Elizabeth, Sandoval, Wendy, Hanan, Emily J., Payandeh, Jian, Rutherford, Steven T.

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Structural basis for dual-mode inhibition of the ABC transporter MsbA von Ho, Hoangdung, Miu, Anh, Alexander, Mary Kate, Garcia, Natalie K., Oh, Angela, Zilberleyb, Inna, Reichelt, Mike, Austin, Cary D., Tam, Christine, Shriver, Stephanie, Hu, Huiyong, Labadie, Sharada S., Liang, Jun, Wang, Lan, Wang, Jian, Lu, Yan, Purkey, Hans E., Quinn, John, Franke, Yvonne, Clark, Kevin, Beresini, Maureen H., Tan, Man-Wah, Sellers, Benjamin D., Maurer, Till, Koehler, Michael F. T., Wecksler, Aaron T., Kiefer, James R., Verma, Vishal, Xu, Yiming, Nishiyama, Mireille, Payandeh, Jian, Koth, Christopher M.

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Correction to “A Comparison of Quantum and Molecular Mechanical Methods to Estimate Strain Energy in Druglike Fragments” von Sellers, Benjamin D, James, Natalie C, Gobbi, Alberto

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Incorporating NOE-Derived Distances in Conformer Generation of Cyclic Peptides with Distance Geometry von Wang, Shuzhe, Krummenacher, Kajo, Landrum, Gregory A, Sellers, Benjamin D, Di Lello, Paola, Robinson, Sarah J, Martin, Bryan, Holden, Jeffrey K, Tom, Jeffrey Y. K, Murthy, Anastasia C, Popovych, Nataliya, Riniker, Sereina

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Disrupting Gram-Negative Bacterial Outer Membrane Biosynthesis through Inhibition of the Lipopolysaccharide Transporter MsbA von Alexander, Mary Kate, Miu, Anh, Oh, Angela, Reichelt, Mike, Ho, Hoangdung, Chalouni, Cecile, Labadie, Sharada, Wang, Lan, Liang, Jun, Nickerson, Nicholas N, Hu, Huiyong, Yu, Lan, Du, Miaofen, Yan, Donghong, Park, Summer, Kim, Janice, Xu, Min, Sellers, Benjamin D, Purkey, Hans E, Skelton, Nicholas J, Koehler, Michael F T, Payandeh, Jian, Verma, Vishal, Xu, Yiming, Koth, Christopher M, Nishiyama, Mireille

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Discovery of Inhibitors of the Lipopolysaccharide Transporter MsbA: From a Screening Hit to Potent Wild-Type Gram-Negative Activity von Verma, Vishal A, Wang, Lan, Labadie, Sharada S, Liang, Jun, Sellers, Benjamin D, Wang, Jian, Dong, Liting, Wang, Qiuyue, Zhang, Shuang, Xu, Zhongya, Zhang, Yexia, Niu, Yanan, Wang, Xinxin, Wai, John, Koehler, Michael F. T, Hu, Huiyong, Alexander, Mary Kate, Nishiyama, Mireille, Miu, Anh, Xu, Yiming, Pang, Jodie, Katakam, Anand K, Reichelt, Michael, Austin, Cary D, Ho, Hoangdung, Payandeh, Jian, Koth, Christopher M

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