Enhancing Docking Accuracy with PECAN2, a 3D Atomic Neural Network Trained without Co-Complex Crystal Structures by Heesung Shim, Jonathan E. Allen, W. F. Drew Bennett

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Bacterial Membranes Are More Perturbed by the Asymmetric Versus Symmetric Loading of Amphiphilic Molecules by W. F. Drew Bennett, Stephen J. Fox, Delin Sun, C. Mark Maupin

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Advances in Computational Approaches for Estimating Passive Permeability in Drug Discovery by Austen Bernardi, W. F. Drew Bennett, Stewart He, Derek Jones, Dan Kirshner, Brian J. Bennion, Timothy S. Carpenter

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Simulations of Asymmetric Membranes Illustrate Cooperative Leaflet Coupling and Lipid Adaptability by Madison Blumer, Madison Blumer, Sophia Harris, Mengzhe Li, Mengzhe Li, Luis Martinez, Michael Untereiner, Michael Untereiner, Peter N. Saeta, Timothy S. Carpenter, Helgi I. Ingólfsson, W. F. Drew Bennett

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Discovery of Small-Molecule Inhibitors of SARS-CoV-2 Proteins Using a Computational and Experimental Pipeline by Edmond Y. Lau, Oscar A. Negrete, W. F. Drew Bennett, Brian J. Bennion, Monica Borucki, Feliza Bourguet, Aidan Epstein, Magdalena Franco, Brooke Harmon, Stewart He, Derek Jones, Hyojin Kim, Daniel Kirshner, Victoria Lao, Jacky Lo, Kevin McLoughlin, Richard Mosesso, Deepa K. Murugesh, Edwin A. Saada, Brent Segelke, Maxwell A. Stefan, Garrett A. Stevenson, Marisa W. Torres, Dina R. Weilhammer, Sergio Wong, Yue Yang, Adam Zemla, Xiaohua Zhang, Fangqiang Zhu, Jonathan E. Allen, Felice C. Lightstone

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