The role of ligand efficiency metrics in drug discovery von Hopkins, Andrew L., Keserü, György M., Leeson, Paul D., Rees, David C., Reynolds, Charles H.

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Ligand Binding Efficiency: Trends, Physical Basis, and Implications von Reynolds, Charles H, Tounge, Brett A, Bembenek, Scott D

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Thermodynamics of Ligand Binding and Efficiency von Reynolds, Charles H, Holloway, M. Katharine

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Nonpeptide Urotensin-II Receptor Antagonists: A New Ligand Class Based on Piperazino-Phthalimide and Piperazino-Isoindolinone Subunits von Lawson, Edward C, Luci, Diane K, Ghosh, Shyamali, Kinney, William A, Reynolds, Charles H, Qi, Jenson, Smith, Charles E, Wang, Yuanping, Minor, Lisa K, Haertlein, Barbara J, Parry, Tom J, Damiano, Bruce P, Maryanoff, Bruce E

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Group Additivity in Ligand Binding Affinity: An Alternative Approach to Ligand Efficiency von Reynolds, Charles H, Reynolds, Ryan C

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Uncompetitive, adduct-forming SARM1 inhibitors are neuroprotective in preclinical models of nerve injury and disease von Bratkowski, Matthew, Burdett, Thomas C., Danao, Jean, Wang, Xidao, Mathur, Prakhyat, Gu, Weijing, Beckstead, Jennifer A., Talreja, Santosh, Yang, Yu-San, Danko, Gregory, Park, Jae Hong, Walton, Mary, Brown, Sean P., Tegley, Christopher M., Joseph, Prem Raj B., Reynolds, Charles H., Sambashivan, Shilpa

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Protein–Ligand Cocrystal Structures: We Can Do Better von Reynolds, Charles H

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Ligand efficiency metrics: why all the fuss? von Reynolds, Charles H

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Discovery of 2‑[3,5-Dichloro-4-(5-isopropyl-6-oxo-1,6-dihydropyridazin-3-yloxy)phenyl]-3,5-dioxo-2,3,4,5-tetrahydro[1,2,4]triazine-6-carbonitrile (MGL-3196), a Highly Selective Thy... von Kelly, Martha J, Pietranico-Cole, Sherrie, Larigan, J. Douglas, Haynes, Nancy-Ellen, Reynolds, Charles H, Scott, Nathan, Vermeulen, John, Dvorozniak, Mark, Conde-Knape, Karin, Huang, Kuo-Sen, So, Sung-Sau, Thakkar, Kshitij, Qian, Yimin, Banner, Bruce, Mennona, Frank, Danzi, Sara, Klein, Irwin, Taub, Rebecca, Tilley, Jefferson

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A two-state homology model of the hERG K + channel: application to ligand binding von Rajamani, Ramkumar, Tounge, Brett A., Li, Jian, Reynolds, Charles H.

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Ligand efficiency and fragment-based drug discovery von Bembenek, Scott D., Tounge, Brett A., Reynolds, Charles H.

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A quantum mechanical approach to ligand binding Calculation of ligand-protein binding affinities for stromelysin-1 (MMP-3) inhibitors von Li, Jian, Reynolds, Charles. H

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Performance of Similarity Measures in 2D Fragment-Based Similarity Searching:  Comparison of Structural Descriptors and Similarity Coefficients von Chen, Xin, Reynolds, Charles H

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The role of molecular size in ligand efficiency von Reynolds, Charles H., Bembenek, Scott D., Tounge, Brett A.

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Macrocyclic BACE inhibitors: Optimization of a micromolar hit to nanomolar leads von Huang, Yifang, Strobel, Eric D., Ho, Chih Y., Reynolds, Charles H., Conway, Kelly A., Piesvaux, Jennifer A., Brenneman, Douglas E., Yohrling, George J., Moore Arnold, H., Rosenthal, Daniel, Alexander, Richard S., Tounge, Brett A., Mercken, Marc, Vandermeeren, Marc, Parker, Michael H., Reitz, Allen B., Baxter, Ellen W.

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Validity of Ligand Efficiency Metrics von Murray, Christopher W, Erlanson, Daniel A, Hopkins, Andrew L, Keserü, György M, Leeson, Paul D, Rees, David C, Reynolds, Charles H, Richmond, Nicola J

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Modeling the Protonation States of the Catalytic Aspartates in β-Secretase von Rajamani, Ramkumar, Reynolds, Charles H

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Chemistry, information and Frank: a tribute to Frank Brown von Agrafiotis, Dimitris K., Holloway, M. Katharine, Johnson, Scott Arne, Reynolds, Charles H., Stouch, Terry Richard, Tropsha, Alexander, Waller, Chris L.

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2-Amino-3,4-dihydroquinazolines as Inhibitors of BACE-1 (β-Site APP Cleaving Enzyme):  Use of Structure Based Design to Convert a Micromolar Hit into a Nanomolar Lead von Baxter, Ellen W, Conway, Kelly A, Kennis, Ludo, Bischoff, François, Mercken, Marc H, De Winter, Hans L, Reynolds, Charles H, Tounge, Brett A, Luo, Chi, Scott, Malcolm K, Huang, Yifang, Braeken, Mirielle, Pieters, Serge M. A, Berthelot, Didier J. C, Masure, Stefan, Bruinzeel, Wouter D, Jordan, Alfonzo D, Parker, Michael H, Boyd, Robert E, Qu, Junya, Alexander, Richard S, Brenneman, Douglas E, Reitz, Allen B

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Assigning the Protonation States of the Key Aspartates in β-Secretase Using QM/MM X-ray Structure Refinement von Yu, Ning, Hayik, Seth A, Wang, Bing, Liao, Ning, Reynolds, Charles H, Merz, Kenneth M

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