| Year |
Citation |
Score |
| 2023 |
Bayse CA. Stack bonding in polyaromatic hydrocarbons. Physical Chemistry Chemical Physics : Pccp. 25: 20451-20461. PMID 37466927 DOI: 10.1039/d3cp02553e |
0.354 |
|
| 2020 |
Marsan ES, Bayse CA. A Halogen Bonding Perspective on Iodothyronine Deiodinase Activity. Molecules (Basel, Switzerland). 25. PMID 32183289 DOI: 10.3390/molecules25061328 |
0.315 |
|
| 2019 |
Marsan ES, Bayse CA. Halogen Bonding Interactions of Polychlorinated Biphenyls and the Potential for Thyroid Disruption. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 31849117 DOI: 10.1002/chem.201903904 |
0.329 |
|
| 2018 |
Bayse CA. Halogen Bonding from the Bonding Perspective with Considerations for Mechanisms of Thyroid Hormone Activation and Inhibition. New Journal of Chemistry = Nouveau Journal De Chimie. 42: 10623-10632. PMID 30778278 DOI: 10.1039/C8NJ00557E |
0.321 |
|
| 2017 |
Tsotsoros SD, Lutz PB, Daniel AG, Peterson EJ, de Paiva REF, Rivera E, Qu Y, Bayse CA, Farrell NP. Enhancement of the physicochemical properties of [Pt(dien)(nucleobase)](2+) for HIVNCp7 targeting. Chemical Science. 8: 1269-1281. PMID 28451269 DOI: 10.1039/C6Sc03445D |
0.745 |
|
| 2017 |
Marsan ES, Bayse CA. Halogen bonding interactions of polybrominated diphenyl ethers and thyroid hormone derivatives: A potential mechanism for inhibition of iodothyronine deiodinase. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28295735 DOI: 10.1002/chem.201700407 |
0.322 |
|
| 2017 |
Lutz PB, Bayse CA. Interpreting geometric preferences in π-stacking interactions through molecular orbital analysis International Journal of Quantum Chemistry. 118: e25513. DOI: 10.1002/Qua.25513 |
0.732 |
|
| 2016 |
Lutz PB, Bayse CA. Chalcogen bonding interactions between reducible sulfur and selenium compounds and models of zinc finger proteins. Journal of Inorganic Biochemistry. 157: 94-103. PMID 26877152 DOI: 10.1016/J.Jinorgbio.2016.01.013 |
0.746 |
|
| 2016 |
Lutz PB, Bayse CA. Chalcogen bonding interactions between reducible sulfur and selenium compounds and models of zinc finger proteins Journal of Inorganic Biochemistry. 157: 94-103. DOI: 10.1016/j.jinorgbio.2016.01.013 |
0.749 |
|
| 2015 |
Harper LK, Bayse CA. Modeling the chelation of As(III) in lewisite by dithiols using density functional theory and solvent-assisted proton exchange. Journal of Inorganic Biochemistry. 153: 60-7. PMID 26479948 DOI: 10.1016/j.jinorgbio.2015.10.004 |
0.339 |
|
| 2014 |
Harper LK, Antony S, Bayse CA. Thiol reduction of arsenite and selenite: DFT modeling of the pathways to an as-se bond. Chemical Research in Toxicology. 27: 2119-27. PMID 25403853 DOI: 10.1021/Tx500384H |
0.59 |
|
| 2014 |
Li F, Lutz PB, Pepelyayeva Y, Arnér ES, Bayse CA, Rozovsky S. Redox active motifs in selenoproteins. Proceedings of the National Academy of Sciences of the United States of America. 111: 6976-81. PMID 24769567 DOI: 10.1073/Pnas.1319022111 |
0.741 |
|
| 2013 |
Antony S, Bayse CA. Density functional theory study of the attack of ebselen on a zinc-finger model. Inorganic Chemistry. 52: 13803-5. PMID 24266546 DOI: 10.1021/Ic401429Z |
0.608 |
|
| 2013 |
Lutz PB, Bayse CA. Orbital-based insights into parallel-displaced and twisted conformations in π-π Interactions Physical Chemistry Chemical Physics. 15: 9397-9406. PMID 23665910 DOI: 10.1039/C3Cp51077H |
0.755 |
|
| 2011 |
Antony S, Bayse CA. Modeling the mechanism of the glutathione peroxidase mimic ebselen. Inorganic Chemistry. 50: 12075-84. PMID 22059718 DOI: 10.1021/Ic201603V |
0.593 |
|
| 2011 |
Bayse CA, Pavlou A. Tuning the activity of glutathione peroxidase mimics through intramolecular Se···N,O interactions: a DFT study incorporating solvent-assisted proton exchange (SAPE). Organic & Biomolecular Chemistry. 9: 8006-15. PMID 21989570 DOI: 10.1039/c1ob05827d |
0.341 |
|
| 2009 |
Bayse CA, Antony S. Theoretical studies of [2,3]-sigmatropic rearrangements of allylic selenoxides and selenimides. Molecules (Basel, Switzerland). 14: 3229-36. PMID 19783921 DOI: 10.3390/Molecules14093229 |
0.572 |
|
| 2009 |
Bayse CA, Antony S. Modeling the oxidation of ebselen and other organoselenium compounds using explicit solvent networks. The Journal of Physical Chemistry. A. 113: 5780-5. PMID 19374403 DOI: 10.1021/Jp901880N |
0.609 |
|
| 2009 |
Bayse CA. Density-functional theory models of xanthine oxidoreductase activity: comparison of substrate tautomerization and protonation. Dalton Transactions (Cambridge, England : 2003). 2306-14. PMID 19290363 DOI: 10.1039/b821878a |
0.303 |
|
| 2009 |
Antony S, Bayse CA. Theoretical Studies of Models of the Active Site of the Tungstoenzyme Acetylene Hydratase Organometallics. 28: 4938-4944. DOI: 10.1021/Om900230X |
0.607 |
|
| 2008 |
Anzellotti AI, Bayse CA, Farrell NP. Effects of nucleobase metalation on frontier molecular orbitals: potential implications for pi-stacking interactions with tryptophan. Inorganic Chemistry. 47: 10425-31. PMID 18939818 DOI: 10.1021/Ic801004A |
0.374 |
|
| 2007 |
Bayse CA, Antony S. Molecular modeling of bioactive selenium compounds Main Group Chemistry. 6: 185-200. DOI: 10.1080/10241220801994700 |
0.615 |
|
| 2004 |
Bayse CA. The theoretical 77Se chemical shift as a probe of selenium state in selenoproteins and their mimics. Inorganic Chemistry. 43: 1208-10. PMID 14966951 DOI: 10.1021/ic035283l |
0.306 |
|
| 2001 |
Bluhm BK, Shields SJ, Bayse CA, Hall MB, Russell DH. Determination of copper binding sites in peptides containing basic residues: A combined experimental and theoretical study International Journal of Mass Spectrometry. 204: 31-46. DOI: 10.1016/S1387-3806(00)00340-7 |
0.431 |
|
| 1999 |
Bayse CA, Hall MB. Prediction of the Geometries of Simple Transition Metal Polyhydride Complexes by Symmetry Analysis Journal of the American Chemical Society. 121: 1348-1358. DOI: 10.1021/Ja981965+ |
0.492 |
|
| 1998 |
Niu S, Zarić S, Bayse CA, Strout DL, Hall MB. Theoretical Studies of Inorganic and Organometallic Reaction Mechanisms. 14. β-Hydrogen Transfer and Alkene/Alkyne Insertion at a Cationic Iridium Center Organometallics. 17: 5139-5147. DOI: 10.1021/Om980429N |
0.464 |
|
| 1998 |
Bayse CA, Hall MB, Pleune B, Poli R. Experimental and Theoretical Studies of Nonclassical d0Cyclopentadienyl Polyhydride Complexes of Molybdenum and Tungsten Organometallics. 17: 4309-4315. DOI: 10.1021/Om9803523 |
0.424 |
|
| 1998 |
Bayse CA, Hall MB. Transition Metal Polyhydride Complexes. 9. The Effect of Ligand σ- and π-Bonding on the H−Ta−H Bond Angle in Six-Coordinate Tantalum(V) Dihydride Complexes Organometallics. 17: 4861-4868. DOI: 10.1021/Om980310E |
0.497 |
|
| 1997 |
Abugideiri F, Fettinger JC, Pleune B, Poli R, Bayse CA, Hall MB. Synthesis, Structure, and Hydride−Deuteride Exchange Studies of CpMoH3(PMe2Ph)2and Theoretical Studies of the CpMoH3(PMe3)2Model System Organometallics. 16: 1179-1185. DOI: 10.1021/Om960360O |
0.491 |
|
| 1997 |
Bayse CA, Hall MB. Pseudo second-order Jahn-Teller effects and symmetry considerations in transition metal polyhydride complexes Inorganica Chimica Acta. 259: 179-184. DOI: 10.1016/S0020-1693(97)05463-7 |
0.521 |
|
| 1997 |
Couty M, Bayse CA, Hall MB. Extremely localized molecular orbitals (ELMO): a non-orthogonal Hartree-Fock method Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta). 97: 96-109. DOI: 10.1007/S002140050242 |
0.47 |
|
| 1996 |
Couty M, Bayse CA, Jiménez-Cataño R, Hall MB. Controversial Exothermicity of the Oxidative Addition of Methane to (Cyclopentadienyl)rhodium Carbonyl The Journal of Physical Chemistry. 100: 13976-13978. DOI: 10.1021/Jp9609693 |
0.507 |
|
| 1996 |
Bayse CA, Couty M, Hall MB. Transition Metal Polyhydride Complexes. 8. Pentahydrido(cyclopentadienyl)osmium(VI) Journal of the American Chemical Society. 118: 8916-8919. DOI: 10.1021/Ja961265+ |
0.557 |
|
| 1995 |
Taylor DK, Bytheway I, Barton DHR, Bayse CA, Hall MB. Toward the generation of NO in biological systems. Theoretical studies of the N2O2 grouping Journal of Organic Chemistry. 60: 435-444. DOI: 10.1021/Jo00107A024 |
0.404 |
|
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