Active Site Structure of Class I Ribonucleotide Reductase Intermediate X: A Density Functional Theory Analysis of Structure, Energetics, and Spectroscopy
Han, Wen-Ge, Liu, Tiqing, Lovell, Timothy, Noodleman, Louis
Published in Journal of the American Chemical Society (16.11.2005)
Published in Journal of the American Chemical Society (16.11.2005)
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Journal Article
Ionization Potentials of Fluoroindoles and the Origin of Nonexponential Tryptophan Fluorescence Decay in Proteins
Liu, Tiqing, Callis, Patrik R, Hesp, Ben H, de Groot, Mattijs, Buma, Wybren Jan, Broos, Jaap
Published in Journal of the American Chemical Society (23.03.2005)
Published in Journal of the American Chemical Society (23.03.2005)
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Journal Article
Symmetry and Bonding in Metalloporphyrins. A Modern Implementation for the Bonding Analyses of Five- and Six-Coordinate High-Spin Iron(III)−Porphyrin Complexes through Density Functional Calculation and NMR Spectroscopy
Cheng, Ru-Jen, Chen, Ping-Yu, Lovell, Timothy, Liu, Tiqing, Noodleman, Louis, Case, David A
Published in Journal of the American Chemical Society (04.06.2003)
Published in Journal of the American Chemical Society (04.06.2003)
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Journal Article
A Structural Model for the High-Valent Intermediate Q of Methane Monooxygenase from Broken-Symmetry Density Functional and Electrostatics Calculations
Lovell, Timothy, Han, Wen-Ge, Liu, Tiqing, Noodleman, Louis
Published in Journal of the American Chemical Society (22.05.2002)
Published in Journal of the American Chemical Society (22.05.2002)
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Journal Article
DFT Calculations of Isomer Shifts and Quadrupole Splitting Parameters in Synthetic Iron−Oxo Complexes: Applications to Methane Monooxygenase and Ribonucleotide Reductase
Liu, Tiqing, Lovell, Timothy, Han, Wen-Ge, Noodleman, Louis
Published in Inorganic chemistry (25.08.2003)
Published in Inorganic chemistry (25.08.2003)
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Journal Article
Density Functional Study of the Mechanism of a Tyrosine Phosphatase: I. Intermediate Formation
Asthagiri, Dilipkumar, Dillet, Valerie, Liu, Tiqing, Noodleman, Louis, Van Etten, Robert L, Bashford, Donald
Published in Journal of the American Chemical Society (28.08.2002)
Published in Journal of the American Chemical Society (28.08.2002)
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Journal Article
Density Functional Vertical Self-Consistent Reaction Field Theory for Solvatochromism Studies of Solvent-Sensitive Dyes
Liu, Tiqing, Han, Wen-Ge, Himo, Fahmi, Ullmann, G. Matthias, Bashford, Donald, Toutchkine, Alexei, Hahn, Klaus M, Noodleman, Louis
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.04.2004)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.04.2004)
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Journal Article
On the Role of the Conserved Aspartate in the Hydrolysis of the Phosphocysteine Intermediate of the Low Molecular Weight Tyrosine Phosphatase
Asthagiri, D, Liu, Tiqing, Noodleman, Louis, Van Etten, Robert L, Bashford, Donald
Published in Journal of the American Chemical Society (06.10.2004)
Published in Journal of the American Chemical Society (06.10.2004)
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Journal Article
DFT calculations of 57Fe Mössbauer isomer shifts and quadrupole splittings for iron complexes in polar dielectric media: Applications to methane monooxygenase and ribonucleotide reductase
Han, Wen-Ge, Liu, Tiqing, Lovell, Timothy, Noodleman, Louis
Published in Journal of computational chemistry (01.09.2006)
Published in Journal of computational chemistry (01.09.2006)
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Journal Article
BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities
Liu, Tiqing, Lin, Yuhmei, Wen, Xin, Jorissen, Robert N, Gilson, Michael K
Published in Nucleic acids research (01.01.2007)
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Published in Nucleic acids research (01.01.2007)
Journal Article
Public Domain Databases for Medicinal Chemistry
Nicola, George, Liu, Tiqing, Gilson, Michael K
Published in Journal of medicinal chemistry (23.08.2012)
Published in Journal of medicinal chemistry (23.08.2012)
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Journal Article
BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities
Liu, Tiqing, Lin, Yuhmei, Wen, Xin, Jorissen, Robert N, Gilson, Michael K
Published in Nucleic acids research (01.01.2007)
Published in Nucleic acids research (01.01.2007)
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Journal Article
FeMo Cofactor of Nitrogenase: A Density Functional Study of States MN, MOX, MR, and MI
Lovell, Timothy, Li, Jian, Liu, Tiqing, Case, David A, Noodleman, Louis
Published in Journal of the American Chemical Society (12.12.2001)
Published in Journal of the American Chemical Society (12.12.2001)
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Journal Article
Use of Broken-Symmetry Density Functional Theory To Characterize the IspH Oxidized State: Implications for IspH Mechanism and Inhibition
Blachly, Patrick G, Sandala, Gregory M, Giammona, Debra Ann, Liu, Tiqing, Bashford, Donald, McCammon, J. Andrew, Noodleman, Louis
Published in Journal of chemical theory and computation (09.09.2014)
Published in Journal of chemical theory and computation (09.09.2014)
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Journal Article
BindingDB: A Protein-Ligand Database for Drug Discovery
Nicola, George, Liu, Tiqing, Hwang, Linda, Gilson, Michael
Published in Biophysical journal (31.01.2012)
Published in Biophysical journal (31.01.2012)
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