Di Cui
Di Cui
Senior Scientist, Schrodinger Inc.
Verified email at schrodinger.com
Title
Cited by
Cited by
Year
Benzylation of nitroalkanes using copper-catalyzed thermal redox catalysis: toward the facile C-alkylation of nitroalkanes
PG Gildner, AAS Gietter, D Cui, DA Watson
Journal of the American Chemical Society 134 (24), 9942-9945, 2012
512012
Protein Denaturants at Aqueous–Hydrophobic Interfaces: Self-Consistent Correlation between Induced Interfacial Fluctuations and Denaturant Stability at the Interface
D Cui, SC Ou, S Patel
The Journal of Physical Chemistry B 119 (1), 164-178, 2015
222015
A Facile Approach to Fabrication of Hexagonal‐Phase NaYF4:Yb3+, Er3+ Hollow Nanospheres: Formation Mechanism and Upconversion Luminescence
J Zhao, X Liu, D Cui, Y Sun, Y Yu, Y Yang, C Du, Y Wang, K Song, K Liu, ...
European Journal of Inorganic Chemistry 2010 (12), 1813-1819, 2010
212010
Protein‐spanning water networks and implications for prediction of protein–protein interactions mediated through hydrophobic effects
D Cui, S Ou, S Patel
Proteins: Structure, Function, and Bioinformatics 82 (12), 3312-3326, 2014
202014
Comparing alchemical and physical pathway methods for computing the absolute binding free energy of charged ligands
N Deng, D Cui, BW Zhang, J Xia, J Cruz, R Levy
Physical Chemistry Chemical Physics 20 (25), 17081-17092, 2018
172018
PEG-interspersed nitrilotriacetic acid-functionalized quantum dots for site-specific labeling of prion proteins expressed on cell surfaces
M Xie, K Luo, BH Huang, SL Liu, J Hu, D Cui, ZL Zhang, GF Xiao, ...
Biomaterials 31 (32), 8362-8370, 2010
172010
The Role of Interfacial Water in Protein-Ligand Binding: Insights from the Indirect Solvent Mediated PMF
D Cui, BW Zhang, N Matubayasi, RM Levy
Journal of chemical theory and computation 14 (2), 512–526, 2018
142018
Ion-Specific Induced Fluctuations and Free Energetics of Aqueous Protein Hydrophobic Interfaces: Toward Connecting to Specific-Ion Behaviors at Aqueous Liquid–Vapor Interfaces
D Cui, S Ou, E Peters, S Patel
The Journal of Physical Chemistry B 118 (17), 4490-4504, 2014
122014
Liquid–Vapor Interfacial Properties of Aqueous Solutions of Guanidinium and Methyl Guanidinium Chloride: Influence of Molecular Orientation on Interface Fluctuations
S Ou, D Cui, S Patel
The Journal of Physical Chemistry B 117 (39), 11719-11731, 2013
112013
Spatially-decomposed free energy of solvation based on the endpoint density-functional method
Y Ishii, N Yamamoto, N Matubayasi, BW Zhang, D Cui, RM Levy
Journal of chemical theory and computation 15 (5), 2896-2912, 2019
102019
Relationship between solvation thermodynamics from IST and DFT perspectives
RM Levy, D Cui, BW Zhang, N Matubayasi
The Journal of Physical Chemistry B 121 (15), 3825-3841, 2017
102017
Free energetics of rigid body association of ubiquitin binding domains: A biochemical model for binding mediated by hydrophobic interaction
D Cui, S Ou, S Patel
Proteins: Structure, Function, and Bioinformatics 82 (7), 1453-1468, 2014
102014
Molecular modeling of ions at interfaces: exploring similarities to hydrophobic solvation through the lens of induced aqueous interfacial fluctuations
SC Ou, D Cui, S Patel
Physical Chemistry Chemical Physics 18 (44), 30357-30365, 2016
62016
The excess chemical potential of water at the interface with a protein from end point simulations
BW Zhang, D Cui, N Matubayasi, RM Levy
The Journal of Physical Chemistry B 122 (17), 4700-4707, 2018
52018
Ligand Binding Thermodynamic Cycles: Hysteresis, the Locally Weighted Histogram Analysis Method, and the Overlapping States Matrix
D Cui, BW Zhang, Z Tan, RM Levy
Journal of chemical theory and computation 16 (1), 67-79, 2019
32019
Association of alkanes with the aqueous liquid–vapor interface: a reference system for interpreting hydrophobicity generally through interfacial fluctuations
SC Ou, D Cui, S Patel
Physical Chemistry Chemical Physics 16 (48), 26779-26785, 2014
32014
Free energetics of carbon nanotube association in aqueous inorganic NaI salt solutions: Temperature effects using all‐atom molecular dynamics simulations
SP Shu‐Ching Ou, Di Cui, Matthew Wezowicz, Michela Taufer
Journal of computational chemistry 36 (16), 1196-1212, 2015
22015
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Articles 1–17