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Tao Yu
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Energy landscapes and functions of supramolecular systems
GCSSIS Faifan Tantakitti, Job Boekhoven, Xin Wang, Roman V. Kazantsev, Tao ...
Nature Materials 15, 469, 2016
3982016
Practical methods for including torsional anharmonicity in thermochemical calculations on complex molecules: The internal-coordinate multi-structural approximation
J Zheng, T Yu, E Papajak, IM Alecu, SL Mielke, DG Truhlar
Physical Chemistry Chemical Physics 13 (23), 10885-10907, 2011
2392011
Dynamics connect substrate recognition to catalysis in protein kinase A
LR Masterson, C Cheng, T Yu, M Tonelli, A Kornev, SS Taylor, G Veglia
Nature chemical biology 6 (11), 821-828, 2010
2212010
Simultaneous covalent and noncovalent hybrid polymerizations
Z Yu, F Tantakitti, T Yu, LC Palmer, GC Schatz, SI Stupp
Science 351, 497, 2016
1672016
Multi-structural variational transition state theory. Kinetics of the 1, 4-hydrogen shift isomerization of the pentyl radical with torsional anharmonicity
T Yu, J Zheng, DG Truhlar
Chemical Science 2 (11), 2199-2213, 2011
1512011
Multipath variational transition state theory: Rate constant of the 1, 4-hydrogen shift isomerization of the 2-cyclohexylethyl radical
T Yu, J Zheng, DG Truhlar
The Journal of Physical Chemistry A 116 (1), 297-308, 2012
802012
cAMP-dependent protein kinase A selects the excited state of the membrane substrate phospholamban
LR Masterson, T Yu, L Shi, Y Wang, M Gustavsson, MM Mueller, G Veglia
Journal of molecular biology 412 (2), 155-164, 2011
762011
Controlled Nanozeolite‐Assembled Electrode: Remarkable Enzyme‐Immobilization Ability and High Sensitivity as Biosensor
T Yu, Y Zhang, C You, J Zhuang, B Wang, B Liu, Y Kang, Y Tang
Chemistry–A European Journal 12 (4), 1137-1143, 2006
762006
Steered molecular dynamics studies of the potential of mean force for peptide amphiphile self-assembly into cylindrical nanofibers
T Yu, OS Lee, GC Schatz
The Journal of Physical Chemistry A 117 (32), 7453-7460, 2013
702013
A mutation in histone H2B represents a new class of oncogenic driver
RL Bennett, A Bele, EC Small, CM Will, B Nabet, JA Oyer, X Huang, ...
Cancer discovery 9 (10), 1438-1451, 2019
692019
13C ENDOR Spectroscopy of Lipoxygenase–Substrate Complexes Reveals the Structural Basis for C–H Activation by Tunneling
M Horitani, AR Offenbacher, CAM Carr, T Yu, V Hoeke, GE Cutsail III, ...
Journal of the American Chemical Society 139 (5), 1984-1997, 2017
602017
Biofuel Combustion. Energetics and Kinetics of Hydrogen Abstraction from Carbon-1 in n-Butanol by the Hydroperoxyl Radical Calculated by Coupled Cluster and …
IM Alecu, J Zheng, E Papajak, T Yu, DG Truhlar
The Journal of Physical Chemistry A 116 (50), 12206-12213, 2012
512012
Magnetically separable nanozeolites: promising candidates for bio-applications
W Shan, T Yu, B Wang, J Hu, Y Zhang, X Wang, Y Tang
Chemistry of materials 18 (14), 3169-3172, 2006
492006
Nanozeolite-assembled interface towards sensitive biosensing
X Zhou, T Yu, Y Zhang, J Kong, Y Tang, JL Marty, B Liu
Electrochemistry communications 9 (7), 1525-1529, 2007
432007
Metal‐Organic Framework‐Derived Fe‐Doped Co1.11Te2 Embedded in Nitrogen‐Doped Carbon Nanotube for Water Splitting
B He, XC Wang, LX Xia, YQ Guo, YW Tang, Y Zhao, QL Hao, T Yu, HK Liu, ...
ChemSusChem 13 (19), 5239-5247, 2020
412020
Dependence of Vibronic Coupling on Molecular Geometry and Environment: Bridging Hydrogen Atom Transfer and Electron–Proton Transfer
SHS Aparna Karippara Harshan, Tao Yu, Alexander V. Soudackov
Journal of American Society 137, 13545, 2015
37*2015
Free-energy landscape for peptide amphiphile self-assembly: stepwise versus continuous assembly mechanisms
T Yu, GC Schatz
The Journal of Physical Chemistry B 117 (45), 14059-14064, 2013
362013
Free energy profile and mechanism of self-assembly of peptide amphiphiles based on a collective assembly coordinate
T Yu, GC Schatz
The Journal of Physical Chemistry B 117 (30), 9004-9013, 2013
342013
Multi-structural thermodynamics of C–H bond dissociation in hexane and isohexane yielding seven isomeric hexyl radicals
J Zheng, T Yu, DG Truhlar
Physical Chemistry Chemical Physics 13 (43), 19318-19324, 2011
332011
Statistical thermodynamics of the isomerization reaction between n-heptane and isoheptane
T Yu, J Zheng, DG Truhlar
Physical Chemistry Chemical Physics 14 (2), 482-494, 2012
312012
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Articles 1–20