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Probing Ligand Binding Sites on Large Proteins by Nuclear Magnetic Resonance Spectroscopy of Genetically Encoded Non-Canonical Amino Acids.
Ekanayake KB, Mahawaththa MC, Qianzhu H, Abdelkader EH, George J, Ullrich S, Murphy RB, Fry SE, Johansen-Leete J, Payne RJ, Nitsche C, Huber T, Otting G. Ekanayake KB, et al. Among authors: murphy rb. J Med Chem. 2023 Apr 13;66(7):5289-5304. doi: 10.1021/acs.jmedchem.3c00222. Epub 2023 Mar 15. J Med Chem. 2023. PMID: 36920850
Reliable and Accurate Solution to the Induced Fit Docking Problem for Protein-Ligand Binding.
Miller EB, Murphy RB, Sindhikara D, Borrelli KW, Grisewood MJ, Ranalli F, Dixon SL, Jerome S, Boyles NA, Day T, Ghanakota P, Mondal S, Rafi SB, Troast DM, Abel R, Friesner RA. Miller EB, et al. Among authors: murphy rb. J Chem Theory Comput. 2021 Apr 13;17(4):2630-2639. doi: 10.1021/acs.jctc.1c00136. Epub 2021 Mar 29. J Chem Theory Comput. 2021. PMID: 33779166
82 results