| Catalytic intermolecular direct arylation of perfluorobenzenes M Lafrance, CN Rowley, TK Woo, K Fagnou Journal of the American Chemical Society 128 (27), 8754-8756, 2006 | 953 | 2006 |
| Benchmarking quantum chemical methods for the calculation of molecular dipole moments and polarizabilities AL Hickey, CN Rowley The Journal of Physical Chemistry A 118 (20), 3678-3687, 2014 | 260 | 2014 |
| The Solvation Structure of Na+ and K+ in Liquid Water Determined from High Level ab Initio Molecular Dynamics Simulations CN Rowley, B Roux Journal of chemical theory and computation 8 (10), 3526-3535, 2012 | 219 | 2012 |
| Simulation-based approaches for determining membrane permeability of small compounds CT Lee, J Comer, C Herndon, N Leung, A Pavlova, RV Swift, C Tung, ... Journal of chemical information and modeling 56 (4), 721-733, 2016 | 212 | 2016 |
| Ion selectivity in channels and transporters B Roux, S Bernèche, B Egwolf, B Lev, SY Noskov, CN Rowley, H Yu Journal of general physiology 137 (5), 415-426, 2011 | 174 | 2011 |
| Molecular simulation of nonfacilitated membrane permeation E Awoonor-Williams, CN Rowley Biochimica et Biophysica Acta (BBA)-Biomembranes 1858 (7), 1672-1687, 2016 | 140 | 2016 |
| Theoretical and Synthetic Investigations of Carbodiimide Insertions into Al−CH3 and Al−N(CH3)2 Bonds CN Rowley, GA DiLabio, ST Barry Inorganic chemistry 44 (6), 1983-1991, 2005 | 123 | 2005 |
| Why can hydrogen sulfide permeate cell membranes? S Riahi, CN Rowley Journal of the American Chemical Society 136 (43), 15111-15113, 2014 | 115 | 2014 |
| Evaluation of Methods for the Calculation of the pKa of Cysteine Residues in Proteins E Awoonor-Williams, CN Rowley Journal of chemical theory and computation 12 (9), 4662-4673, 2016 | 110 | 2016 |
| Range-separated DFT functionals are necessary to model thio-Michael additions JM Smith, Y Jami Alahmadi, CN Rowley Journal of Chemical Theory and Computation 9 (11), 4860-4865, 2013 | 91 | 2013 |
| Modeling covalent-modifier drugs E Awoonor-Williams, AG Walsh, CN Rowley Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1865 (11), 1664-1675, 2017 | 88 | 2017 |
| A ‘universal’B3LYP-based method for gas-phase molecular properties: bond dissociation enthalpy, ionization potential, electron and proton affinity and gas-phase acidity JS Wright*, CN Rowley, LL Chepelev Molecular Physics 103 (6-8), 815-823, 2005 | 85 | 2005 |
| Polarisable force fields: what do they add in biomolecular simulations? VSS Inakollu, DP Geerke, CN Rowley, H Yu Current Opinion in Structural Biology 61, 182-190, 2020 | 83 | 2020 |
| Ring-opening hydroarylation of monosubstituted cyclopropanes enabled by hexafluoroisopropanol E Richmond, J Yi, VD Vuković, F Sajadi, CN Rowley, J Moran Chemical science 9 (30), 6411-6416, 2018 | 81 | 2018 |
| Solution conformation of C-linked antifreeze glycoprotein analogues and modulation of ice recrystallization RY Tam, CN Rowley, I Petrov, T Zhang, NA Afagh, TK Woo, RN Ben Journal of the American Chemical Society 131 (43), 15745-15753, 2009 | 78 | 2009 |
| Synthesis and thermolysis of aluminum amidinates: A ligand-exchange route for new mixed-ligand systems AL Brazeau, Z Wang, CN Rowley, ST Barry Inorganic chemistry 45 (5), 2276-2281, 2006 | 73 | 2006 |
| Suzuki–Miyaura coupling of (hetero) aryl sulfones: complementary reactivity enables iterative polyaryl synthesis P Chatelain, A Sau, CN Rowley, J Moran Angewandte Chemie International Edition 58 (42), 14959-14963, 2019 | 68 | 2019 |
| Simulating protein–ligand binding with neural network potentials SLJ Lahey, CN Rowley Chemical science 11 (9), 2362-2368, 2020 | 65 | 2020 |
| The CHARMM–TURBOMOLE interface for efficient and accurate QM/MM molecular dynamics, free energies, and excited state properties S Riahi, CN Rowley Journal of computational chemistry 35 (28), 2076-2086, 2014 | 64 | 2014 |
| How reactive are druggable cysteines in protein kinases? E Awoonor-Williams, CN Rowley Journal of Chemical Information and Modeling 58 (9), 1935-1946, 2018 | 61 | 2018 |
Ernest Awoonor-WilliamsNIBR在 mun.ca 的电子邮件经过验证
