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Front Cover: Design, Synthesis, and Biological Evaluation of Polyaminocarboxylate Ligand‐Based Theranostic Conjugates for Antibody‐Targeted Cancer Therapy and Near‐Infrared Optical Imaging (ChemMedChem 24/2018).
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- ChemMedChem, 2018, v. 13, n. 24, p. 2599, doi. 10.1002/cmdc.201800767
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Design, Synthesis, and Biological Evaluation of Polyaminocarboxylate Ligand‐Based Theranostic Conjugates for Antibody‐Targeted Cancer Therapy and Near‐Infrared Optical Imaging.
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- ChemMedChem, 2018, v. 13, n. 24, p. 2606, doi. 10.1002/cmdc.201800598
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Alchemical Grid Dock (AlGDock) calculations in the D3R Grand Challenge 3.
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- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 1, p. 61, doi. 10.1007/s10822-018-0143-9
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Bayesian regression and model selection for isothermal titration calorimetry with enantiomeric mixtures.
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- PLoS ONE, 2022, v. 17, n. 9, p. 1, doi. 10.1371/journal.pone.0273656
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Bayesian analysis of isothermal titration calorimetry for binding thermodynamics.
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- PLoS ONE, 2018, v. 13, n. 9, p. 1, doi. 10.1371/journal.pone.0203224
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Electrostatics and water occlusion regulate covalently‐bound flavin mononucleotide cofactors of Vibrio cholerae respiratory complex NQR.
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- Proteins, 2021, v. 89, n. 10, p. 1376, doi. 10.1002/prot.26158
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Bayesian Regression Quantifies Uncertainty of Binding Parameters from Isothermal Titration Calorimetry More Accurately Than Error Propagation.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 20, p. 15074, doi. 10.3390/ijms242015074
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Alchemical Grid Dock (AlGDock): Binding Free Energy Calculations between Flexible Ligands and Rigid Receptors.
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- Journal of Computational Chemistry, 2020, v. 41, n. 7, p. 715, doi. 10.1002/jcc.26036
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On Restraints in End‐Point Protein–Ligand Binding Free Energy Calculations.
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- Journal of Computational Chemistry, 2020, v. 41, n. 6, p. 573, doi. 10.1002/jcc.26119
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Power transformations improve interpolation of grids for molecular mechanics interaction energies.
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- Journal of Computational Chemistry, 2018, v. 39, n. 19, p. 1200, doi. 10.1002/jcc.25180
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Using the fast fourier transform in binding free energy calculations.
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- Journal of Computational Chemistry, 2018, v. 39, n. 11, p. 621, doi. 10.1002/jcc.25139
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