Signaling Modulation Mediated by Ligand Water Interactions with the Sodium Site at μOR.

Autor: Ople RS; Center for Clinical Pharmacology, University of Health Sciences & Pharmacy at St. Louis and Washington University School of Medicine, St. Louis, Missouri 63110, United States.; Department of Anesthesiology and Washington University Pain Center, Washington University School of Medicine, St. Louis, Missouri 63110, United States., Ramos-Gonzalez N; Center for Clinical Pharmacology, University of Health Sciences & Pharmacy at St. Louis and Washington University School of Medicine, St. Louis, Missouri 63110, United States.; Department of Anesthesiology and Washington University Pain Center, Washington University School of Medicine, St. Louis, Missouri 63110, United States., Li Q; Department of Cellular and Molecular Pharmacology, University of California, San Francisco, San Francisco, California 94158, United States., Sobecks BL; Department of Computer Science, Stanford University, Stanford, California 94305, United States.; Department of Structural Biology, Stanford University School of Medicine, Stanford, California 94305, United States.; Department of Molecular & Cellular Physiology, Stanford University School of Medicine, Stanford, California 94305, United States., Aydin D; Department of Computer Science, Stanford University, Stanford, California 94305, United States.; Department of Structural Biology, Stanford University School of Medicine, Stanford, California 94305, United States.; Department of Molecular & Cellular Physiology, Stanford University School of Medicine, Stanford, California 94305, United States., Powers AS; Department of Computer Science, Stanford University, Stanford, California 94305, United States.; Department of Structural Biology, Stanford University School of Medicine, Stanford, California 94305, United States.; Department of Molecular & Cellular Physiology, Stanford University School of Medicine, Stanford, California 94305, United States., Faouzi A; Center for Clinical Pharmacology, University of Health Sciences & Pharmacy at St. Louis and Washington University School of Medicine, St. Louis, Missouri 63110, United States.; Department of Anesthesiology and Washington University Pain Center, Washington University School of Medicine, St. Louis, Missouri 63110, United States., Polacco BJ; Department of Computer Science, Stanford University, Stanford, California 94305, United States.; Department of Structural Biology, Stanford University School of Medicine, Stanford, California 94305, United States., Bernhard SM; Center for Clinical Pharmacology, University of Health Sciences & Pharmacy at St. Louis and Washington University School of Medicine, St. Louis, Missouri 63110, United States.; Department of Anesthesiology and Washington University Pain Center, Washington University School of Medicine, St. Louis, Missouri 63110, United States., Appourchaux K; Center for Clinical Pharmacology, University of Health Sciences & Pharmacy at St. Louis and Washington University School of Medicine, St. Louis, Missouri 63110, United States.; Department of Anesthesiology and Washington University Pain Center, Washington University School of Medicine, St. Louis, Missouri 63110, United States., Sribhashyam S; Center for Clinical Pharmacology, University of Health Sciences & Pharmacy at St. Louis and Washington University School of Medicine, St. Louis, Missouri 63110, United States.; Department of Anesthesiology and Washington University Pain Center, Washington University School of Medicine, St. Louis, Missouri 63110, United States., Eans SO; Department of Pharmacodynamics, University of Florida, Gainesville, Florida 032610, United States., Tsai BA; Department of Pharmacodynamics, University of Florida, Gainesville, Florida 032610, United States., Dror RO; Department of Computer Science, Stanford University, Stanford, California 94305, United States.; Department of Structural Biology, Stanford University School of Medicine, Stanford, California 94305, United States.; Department of Molecular & Cellular Physiology, Stanford University School of Medicine, Stanford, California 94305, United States., Varga BR; Center for Clinical Pharmacology, University of Health Sciences & Pharmacy at St. Louis and Washington University School of Medicine, St. Louis, Missouri 63110, United States.; Department of Anesthesiology and Washington University Pain Center, Washington University School of Medicine, St. Louis, Missouri 63110, United States., Wang H; Department of Molecular & Cellular Physiology, Stanford University School of Medicine, Stanford, California 94305, United States., Hüttenhain R; Department of Molecular & Cellular Physiology, Stanford University School of Medicine, Stanford, California 94305, United States., McLaughlin JP; Department of Pharmacodynamics, University of Florida, Gainesville, Florida 032610, United States., Majumdar S; Center for Clinical Pharmacology, University of Health Sciences & Pharmacy at St. Louis and Washington University School of Medicine, St. Louis, Missouri 63110, United States.; Department of Anesthesiology and Washington University Pain Center, Washington University School of Medicine, St. Louis, Missouri 63110, United States.

Publikováno v: ACS central science [ACS Cent Sci] 2024 Jul 17; Vol. 10 (8), pp. 1490-1503. Date of Electronic Publication: 2024 Jul 17 (Print Publication: 2024).

Dual Role of Strigolactone Receptor Signaling Partner in Inhibiting Substrate Hydrolysis.

Autor: Sobecks BL; Department of Chemical and Biomolecular Engineering, University of Illinois at Urbana─Champaign, Urbana, Illinois 61801, United States., Chen J; Department of Chemical and Biomolecular Engineering, University of Illinois at Urbana─Champaign, Urbana, Illinois 61801, United States., Shukla D; Department of Chemical and Biomolecular Engineering, University of Illinois at Urbana─Champaign, Urbana, Illinois 61801, United States.; Center for Biophysics and Quantitative Biology, University of Illinois at Urbana─Champaign, Urbana, Illinois 61801, United States.; National Center for Supercomputing Applications, University of Illinois at Urbana─Champaign, Urbana, Illinois 61801, United States.; Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana─Champaign, Urbana, Illinois 61801, United States.; NIH Center for Macromolecular Modeling and Bioinformatics, University of Illinois at Urbana─Champaign, Urbana, Illinois 61801, United States.; Department of Plant Biology, University of Illinois at Urbana─Champaign, Urbana, Illinois 61801, United States.

Publikováno v: The journal of physical chemistry. B [J Phys Chem B] 2022 Mar 24; Vol. 126 (11), pp. 2188-2195. Date of Electronic Publication: 2022 Mar 11.