A Method to Predict Blood-Brain Barrier Permeability of Drug-Like Compounds Using Molecular Dynamics Simulations von Carpenter, Timothy S., Kirshner, Daniel A., Lau, Edmond Y., Wong, Sergio E., Nilmeier, Jerome P., Lightstone, Felice C.

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Evaluation of 6-OxP-CD, an Oxime-based cyclodextrin as a viable medical countermeasure against nerve agent poisoning: Experimental and molecular dynamic simulation studies on its i... von Lau, Edmond Y, Enright, Heather A, Lao, Victoria, Malfatti, Michael A, Mayer, Brian P, Williams, Audrey M, Valdez, Carlos A

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Evaluation of polyanionic cyclodextrins as high affinity binding scaffolds for fentanyl von Mayer, Brian P., Kennedy, Daniel J., Lau, Edmond Y., Valdez, Carlos A.

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Shock Wave-Induced Damage of a Protein by Void Collapse von Lau, Edmond Y., Berkowitz, Max L., Schwegler, Eric

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Large-scale application of free energy perturbation calculations for antibody design von Zhu, Fangqiang, Bourguet, Feliza A., Bennett, William F. D., Lau, Edmond Y., Arrildt, Kathryn T., Segelke, Brent W., Zemla, Adam T., Desautels, Thomas A., Faissol, Daniel M.

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On the Rapid Calculation of Binding Affinities for Antigen and Antibody Design and Affinity Maturation Simulations von Conti, Simone, Lau, Edmond Y, Ovchinnikov, Victor

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A wrench in the works of human acetylcholinesterase: soman induced conformational changes revealed by molecular dynamics simulations von Bennion, Brian J, Essiz, Sebnem G, Lau, Edmond Y, Fattebert, Jean-Luc, Emigh, Aiyana, Lightstone, Felice C

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Fast Permeation of Small Ions in Carbon Nanotubes von Buchsbaum, Steven F., Jue, Melinda L., Sawvel, April M., Chen, Chiatai, Meshot, Eric R., Park, Sei Jin, Wood, Marissa, Wu, Kuang Jen, Bilodeau, Camille L., Aydin, Fikret, Pham, Tuan Anh, Lau, Edmond Y., Fornasiero, Francesco

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Quantifying Interactions of a Membrane Protein Embedded in a Lipid Nanodisc using Fluorescence Correlation Spectroscopy von Ly, Sonny, Bourguet, Feliza, Fischer, Nicholas O., Lau, Edmond Y., Coleman, Matthew A., Laurence, Ted A.

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Dynamic Force Spectroscopy of Parallel Individual Mucin1-Antibody Bonds von Todd A. Sulchek, Raymond W. Friddle, Kevin Langry, Lau, Edmond Y., Huguette Albrecht, Timothy V. Ratto, DeNardo, Sally J., Colvin, Michael E., Noy, Aleksandr

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Multiframe Imaging of Micron and Nanoscale Bubble Dynamics von Egan, Garth C, Lau, Edmond Y, Schwegler, Eric

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Ion Solvation and Transport in Narrow Carbon Nanotubes: Effects of Polarizability, Cation−π Interaction, and Confinement von Aydin, Fikret, Moradzadeh, Alireza, Bilodeau, Camille L, Lau, Edmond Y, Schwegler, Eric, Aluru, Narayana R, Pham, Tuan Anh

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Structure and dynamics of aqueous solutions from PBE-based first-principles molecular dynamics simulations von Pham, Tuan Anh, Ogitsu, Tadashi, Lau, Edmond Y., Schwegler, Eric

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Damage to Polystyrene Polymer Film by Shock Wave Induced Bubble Collapse von Min, Sa Hoon, Wijesinghe, Sidath, Lau, Edmond Y, Berkowitz, Max L

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Intramolecular cohesion of coils mediated by phenylalanine--glycine motifs in the natively unfolded domain of a nucleoporin von Krishnan, V V, Lau, Edmond Y, Yamada, Justin, Denning, Daniel P, Patel, Samir S, Colvin, Michael E, Rexach, Michael F

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Comparison and analysis of zinc and cobalt-based systems as catalytic entities for the hydration of carbon dioxide von Lau, Edmond Y, Wong, Sergio E, Baker, Sarah E, Bearinger, Jane P, Koziol, Lucas, Valdez, Carlos A, Satcher, Jr, Joseph H, Aines, Roger D, Lightstone, Felice C

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The Role of Ligand–Ligand Interactions in Multimodal Ligand Conformational Equilibria and Surface Pattern Formation von Bilodeau, Camille L, Lau, Edmond Y, Cramer, Steven M, Garde, Shekhar

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Microsecond Molecular Dynamics Simulations of Proteins Using a Quasi-Equilibrium Solvation Shell Model von Ovchinnikov, Victor, Conti, Simone, Lau, Edmond Y, Lightstone, Felice C, Karplus, Martin

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Countermeasures for Preventing and Treating Opioid Overdose von France, Charles P., Ahern, Gerard P., Averick, Saadyah, Disney, Alex, Enright, Heather A., Esmaeli‐Azad, Babak, Federico, Arianna, Gerak, Lisa R., Husbands, Stephen M., Kolber, Benedict, Lau, Edmond Y., Lao, Victoria, Maguire, David R., Malfatti, Michael A., Martinez, Girardo, Mayer, Brian P., Pravetoni, Marco, Sahibzada, Niaz, Skolnick, Phil, Snyder, Evan Y., Tomycz, Nestor, Valdez, Carlos A., Zapf, Jim

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Conformational Equilibria of Multimodal Chromatography Ligands in Water and Bound to Protein Surfaces von Bilodeau, Camille L, Lau, Edmond Y, Cramer, Steven M, Garde, Shekhar

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