An artificial intelligence accelerated virtual screening platform for drug discovery.

Autor: Zhou G; Department of Biochemistry, University of Washington, Seattle, WA, USA.; Institute for Protein Design, University of Washington, Seattle, WA, USA., Rusnac DV; Howard Hughes Medical Institute, Department of Pharmacology, University of Washington, Seattle, WA, USA., Park H; Brain Science Institute, Korea Institute of Science and Technology, Seoul, Republic of Korea.; KIST-SKKU Brain Research Center, SKKU Institute for Convergence, Sungkyunkwan University, Suwon, Republic of Korea., Canzani D; Department of Chemistry, University of Washington, Seattle, WA, USA., Nguyen HM; Department of Pharmacology, University of California Davis, Davis, CA, USA., Stewart L; Institute for Protein Design, University of Washington, Seattle, WA, USA., Bush MF; Department of Chemistry, University of Washington, Seattle, WA, USA., Nguyen PT; Department of Physiology and Membrane Biology, University of California Davis, Davis, CA, USA., Wulff H; Department of Pharmacology, University of California Davis, Davis, CA, USA., Yarov-Yarovoy V; Department of Physiology and Membrane Biology, University of California Davis, Davis, CA, USA.; Department of Anesthesiology and Pain Medicine, University of California Davis, Sacramento, CA, USA., Zheng N; Howard Hughes Medical Institute, Department of Pharmacology, University of Washington, Seattle, WA, USA. nzheng@uw.edu., DiMaio F; Department of Biochemistry, University of Washington, Seattle, WA, USA. dimaio@u.washington.edu.; Institute for Protein Design, University of Washington, Seattle, WA, USA. dimaio@u.washington.edu.

Publikováno v: Nature communications [Nat Commun] 2024 Sep 05; Vol. 15 (1), pp. 7761. Date of Electronic Publication: 2024 Sep 05.

Drugs Form Ternary Complexes with Human Liver Fatty Acid Binding Protein 1 (FABP1) and FABP1 Binding Alters Drug Metabolism.

Autor: Yabut KCB; Department of Pharmaceutics, School of Pharmacy (K.C.B.Y., N.I.), Department of Chemistry (A.M., B.P.Z., M.F.B.), and Department of Medicinal Chemistry (A.N.), University of Washington, Seattle, Washington., Martynova A; Department of Pharmaceutics, School of Pharmacy (K.C.B.Y., N.I.), Department of Chemistry (A.M., B.P.Z., M.F.B.), and Department of Medicinal Chemistry (A.N.), University of Washington, Seattle, Washington., Nath A; Department of Pharmaceutics, School of Pharmacy (K.C.B.Y., N.I.), Department of Chemistry (A.M., B.P.Z., M.F.B.), and Department of Medicinal Chemistry (A.N.), University of Washington, Seattle, Washington., Zercher BP; Department of Pharmaceutics, School of Pharmacy (K.C.B.Y., N.I.), Department of Chemistry (A.M., B.P.Z., M.F.B.), and Department of Medicinal Chemistry (A.N.), University of Washington, Seattle, Washington., Bush MF; Department of Pharmaceutics, School of Pharmacy (K.C.B.Y., N.I.), Department of Chemistry (A.M., B.P.Z., M.F.B.), and Department of Medicinal Chemistry (A.N.), University of Washington, Seattle, Washington., Isoherranen N; Department of Pharmaceutics, School of Pharmacy (K.C.B.Y., N.I.), Department of Chemistry (A.M., B.P.Z., M.F.B.), and Department of Medicinal Chemistry (A.N.), University of Washington, Seattle, Washington ni2@uw.edu.

Publikováno v: Molecular pharmacology [Mol Pharmacol] 2024 May 17; Vol. 105 (6), pp. 395-410. Date of Electronic Publication: 2024 May 17.

Drugs Form Ternary Complexes with Human Liver Fatty Acid Binding Protein (FABP1) and FABP1 Binding Alters Drug Metabolism.

Autor: Yabut KCB; Department of Pharmaceutics, School of Pharmacy, University of Washington, Seattle, WA, United States., Martynova A; Department of Chemistry, University of Washington, Seattle, WA, United States., Nath A; Department of Medicinal Chemistry, University of Washington, Seattle, WA., Zercher BP; Department of Chemistry, University of Washington, Seattle, WA, United States., Bush MF; Department of Chemistry, University of Washington, Seattle, WA, United States., Isoherranen N; Department of Pharmaceutics, School of Pharmacy, University of Washington, Seattle, WA, United States.

Publikováno v: BioRxiv : the preprint server for biology [bioRxiv] 2024 Jan 19. Date of Electronic Publication: 2024 Jan 19.

Towards IM ⁿ with Electrostatic Drift Fields: Resetting the Potential of Trapped Ions Between Dimensions of Ion Mobility.

Autor: Zercher BP; University of Washington Department of Chemistry, Box 351700, Seattle, WA 98195-1700., Feng Y; University of Washington Department of Chemistry, Box 351700, Seattle, WA 98195-1700., Bush MF; University of Washington Department of Chemistry, Box 351700, Seattle, WA 98195-1700.

Publikováno v: International journal of mass spectrometry [Int J Mass Spectrom] 2024 Jan; Vol. 495. Date of Electronic Publication: 2023 Oct 17.

Sample pH Can Drift during Native Mass Spectrometry Experiments: Results from Ratiometric Fluorescence Imaging.

Autor: Gadzuk-Shea MM; University of Washington, Department of Chemistry, Box 351700, Seattle, Washington 98195-1700, United States., Hubbard EE; University of Washington, Department of Chemistry, Box 351700, Seattle, Washington 98195-1700, United States., Gozzo TA; University of Washington, Department of Chemistry, Box 351700, Seattle, Washington 98195-1700, United States., Bush MF; University of Washington, Department of Chemistry, Box 351700, Seattle, Washington 98195-1700, United States.

Publikováno v: Journal of the American Society for Mass Spectrometry [J Am Soc Mass Spectrom] 2023 Aug 02; Vol. 34 (8), pp. 1675-1684. Date of Electronic Publication: 2023 Jul 05.