FPocketWeb: protein pocket hunting in a web browser by Yuri Kochnev, Jacob D. Durrant

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Open-Source Browser-Based Tools for Structure-Based Computer-Aided Drug Discovery by Ann Wang, Jacob D. Durrant

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LipidWrapper: an algorithm for generating large-scale membrane models of arbitrary geometry. by Jacob D Durrant, Rommie E Amaro

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Scoria: a Python module for manipulating 3D molecular data by Patrick Ropp, Aaron Friedman, Jacob D. Durrant

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Teaching old docks new tricks with machine learning enhanced ensemble docking by Roshni Bhatt, Ann Wang, Jacob D. Durrant

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From byte to bench to bedside: molecular dynamics simulations and drug discovery by Mayar Ahmed, Alex M. Maldonado, Jacob D. Durrant

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LigGrep: a tool for filtering docked poses to improve virtual-screening hit rates by Emily J. Ha, Cara T. Lwin, Jacob D. Durrant

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Computational identification of uncharacterized cruzain binding sites. by Jacob D Durrant, Henrik Keränen, Benjamin A Wilson, J Andrew McCammon

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ProteinVR: Web-based molecular visualization in virtual reality. by Kevin C Cassidy, Jan Šefčík, Yogindra Raghav, Alexander Chang, Jacob D Durrant

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MutantHuntWGS: A Pipeline for Identifying Saccharomyces cerevisiae Mutations by Mitchell A. Ellison, Jennifer L. Walker, Patrick J. Ropp, Jacob D. Durrant, Karen M. Arndt

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Novel naphthalene-based inhibitors of Trypanosoma brucei RNA editing ligase 1. by Jacob D Durrant, Laurence Hall, Robert V Swift, Melissa Landon, Achim Schnaufer, Rommie E Amaro

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Mesoscale All-Atom Influenza Virus Simulations Suggest New Substrate Binding Mechanism by Jacob D. Durrant, Sarah E. Kochanek, Lorenzo Casalino, Pek U. Ieong, Abigail C. Dommer, Rommie E. Amaro

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Novel mutation in hexokinase 2 confers resistance to 2-deoxyglucose by altering protein dynamics. by Erich Hellemann, Jennifer L Walker, Mitchell A Lesko, Dakshayini G Chandrashekarappa, Martin C Schmidt, Allyson F O'Donnell, Jacob D Durrant

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A Computational Assay that Explores the Hemagglutinin/Neuraminidase Functional Balance Reveals the Neuraminidase Secondary Site as a Novel Anti-Influenza Target by Rommie E. Amaro, Pek U Ieong, Gary Huber, Abigail Dommer, Alasdair C. Steven, Robin M. Bush, Jacob D. Durrant, Lane W. Votapka

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The chaperone PrsA2 regulates the secretion, stability, and folding of listeriolysin O during Listeria monocytogenes infection by Charles Agbavor, Adriana Zimnicka, Allison Kumar, Jada L. George, Madeline Torres, Gerd Prehna, Francis Alonzo, Jacob D. Durrant, Nancy E. Freitag, Laty A. Cahoon

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Genome mining yields putative disease-associated ROMK variants with distinct defects. by Nga H Nguyen, Srikant Sarangi, Erin M McChesney, Shaohu Sheng, Jacob D Durrant, Aidan W Porter, Thomas R Kleyman, Zachary W Pitluk, Jeffrey L Brodsky

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Changing course: Glucose starvation drives nuclear accumulation of Hexokinase 2 in S. cerevisiae. by Mitchell A Lesko, Dakshayini G Chandrashekarappa, Eric M Jordahl, Katherine G Oppenheimer, Ray W Bowman, Chaowei Shang, Jacob D Durrant, Martin C Schmidt, Allyson F O'Donnell

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Two inhibitors of yeast plasma membrane ATPase 1 (ScPma1p): toward the development of novel antifungal therapies by Sabine Ottilie, Gregory M. Goldgof, Andrea L. Cheung, Jennifer L. Walker, Edgar Vigil, Kenneth E. Allen, Yevgeniya Antonova-Koch, Carolyn W. Slayman, Yo Suzuki, Jacob D. Durrant

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A multidimensional strategy to detect polypharmacological targets in the absence of structural and sequence homology. by Jacob D Durrant, Rommie E Amaro, Lei Xie, Michael D Urbaniak, Michael A J Ferguson, Antti Haapalainen, Zhijun Chen, Anne Marie Di Guilmi, Frank Wunder, Philip E Bourne, J Andrew McCammon

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Comparative chemical genomics reveal that the spiroindolone antimalarial KAE609 (Cipargamin) is a P-type ATPase inhibitor by Gregory M. Goldgof, Jacob D. Durrant, Sabine Ottilie, Edgar Vigil, Kenneth E. Allen, Felicia Gunawan, Maxim Kostylev, Kiersten A. Henderson, Jennifer Yang, Jake Schenken, Gregory M. LaMonte, Micah J. Manary, Ayako Murao, Marie Nachon, Rebecca Murray, Maximo Prescott, Case W. McNamara, Carolyn W. Slayman, Rommie E. Amaro, Yo Suzuki, Elizabeth A. Winzeler

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