| 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 | 71 | 2012 |
| Enhancing hit discovery in virtual screening through absolute protein–ligand binding free-energy calculations W Chen, D Cui, SV Jerome, M Michino, EB Lenselink, DJ Huggins, ... Journal of Chemical Information and Modeling 63 (10), 3171-3185, 2023 | 59 | 2023 |
| 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 | 44 | 2018 |
| 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 | 38 | 2014 |
| 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 | 30 | 2018 |
| 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 | 28 | 2015 |
| 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 | 27 | 2010 |
| 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 | 25 | 2010 |
| 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 | 16 | 2019 |
| 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 | 16 | 2017 |
| 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 | 13 | 2013 |
| 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 | 12 | 2014 |
| 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 | 11 | 2016 |
| 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 | 10 | 2018 |
| Enhancing hit discovery in virtual screening through accurate calculation of absolute protein-ligand binding free energies W Chen, D Cui, SV Jerome, M Michino, EB Lenselink, D Huggins, ... | 9 | 2022 |
| 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 | 9 | 2014 |
| 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 | 8 | 2019 |
| 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 | 3 | 2014 |
| 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 | 2 | 2015 |
| Advancing drug discovery with accurate and reliable protein-ligand binding free energy calculations L Wang, W Chen, G Ross, D Cui, E Harder, R Abel Biophysical Journal 122 (3), 325a-326a, 2023 | | 2023 |
Sandeep Patel, Ph.D.University of Delaware Department of Chemistry/BiochemistryOverená e-mailová adresa na: udel.edu