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

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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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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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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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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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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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A Bimodal Distribution of Two Distinct Categories of Intrinsically Disordered Structures with Separate Functions in FG Nucleoporins von Yamada, Justin, Phillips, Joshua L., Patel, Samir, Goldfien, Gabriel, Calestagne-Morelli, Alison, Huang, Hans, Reza, Ryan, Acheson, Justin, Krishnan, Viswanathan V., Newsam, Shawn, Gopinathan, Ajay, Lau, Edmond Y., Colvin, Michael E., Uversky, Vladimir N., Rexach, Michael F.

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Formation of Ligand Clusters on Multimodal Chromatographic Surfaces von Bilodeau, Camille L, Lau, Edmond Y, Roush, David, Garde, Shekhar, Cramer, Steven M

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