| Molecular simulation of nonfacilitated membrane permeation E Awoonor-Williams, CN Rowley Biochimica et Biophysica Acta (BBA)-Biomembranes 1858 (7), 1672-1687, 2016 | 150 | 2016 |
| 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 | 123 | 2016 |
| Modeling covalent-modifier drugs E Awoonor-Williams, AG Walsh, CN Rowley Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1865 (11), 1664-1675, 2017 | 95 | 2017 |
| How reactive are druggable cysteines in protein kinases? E Awoonor-Williams, CN Rowley Journal of chemical information and modeling 58 (9), 1935-1946, 2018 | 64 | 2018 |
| Generalized Langevin methods for calculating transmembrane diffusivity K Gaalswyk, E Awoonor-Williams, CN Rowley Journal of Chemical Theory and Computation 12 (11), 5609-5619, 2016 | 58 | 2016 |
| Quantum chemical methods for modeling covalent modification of biological thiols E Awoonor‐Williams, WC Isley III, SG Dale, ER Johnson, H Yu, AD Becke, ... Journal of Computational Chemistry 41 (5), 427-438, 2020 | 50 | 2020 |
| Approaches to ensuring and improving quality in the context of health system strengthening: a cross-site analysis of the five African Health Initiative Partnership programs LR Hirschhorn, C Baynes, K Sherr, N Chintu, JK Awoonor-Williams, ... BMC health services research 13, 1-11, 2013 | 42 | 2013 |
| Covalent and non-covalent binding free energy calculations for peptidomimetic inhibitors of SARS-CoV-2 main protease E Awoonor-Williams, AAAA Abu-Saleh Physical Chemistry Chemical Physics, 2021 | 41 | 2021 |
| The hydration structure of methylthiolate from QM/MM molecular dynamics E Awoonor-Williams, CN Rowley The Journal of chemical physics 149 (4), 2018 | 28 | 2018 |
| Modeling the binding and conformational energetics of a targeted covalent inhibitor to Bruton’s tyrosine kinase E Awoonor-Williams, CN Rowley Journal of Chemical Information and Modeling 61 (10), 5234-5242, 2021 | 24 | 2021 |
| Ultra-fast electron capture by electrosterically-stabilized gold nanoparticles K Ghandi, AD Findlater, Z Mahimwalla, CS MacNeil, E Awoonor-Williams, ... Nanoscale 7 (27), 11545-11551, 2015 | 22 | 2015 |
| A novel gold nanoparticle stabilization and its muon chemistry M Farren-Dai, E Awoonor-Williams, CS MacNeil, Z Mahimwalla, K Ghandi Chemical Physics Letters 610, 331-334, 2014 | 15 | 2014 |
| Benchmarking In Silico Tools for Cysteine pKa Prediction E Awoonor-Williams, AA Golosov, V Hornak Journal of chemical information and modeling 63 (7), 2170-2180, 2023 | 13 | 2023 |
| Measuring and predicting warhead and residue reactivity E Awoonor-Williams, J Kennedy, CN Rowley Annual Reports in Medicinal Chemistry 56, 203-227, 2021 | 9 | 2021 |
| Leveraging advanced in silico techniques in early drug discovery: a study of potent small-molecule YAP-TEAD PPI disruptors E Awoonor-Williams, CJ Dickson, P Furet, AA Golosov, V Hornak Journal of Chemical Information and Modeling 63 (8), 2520-2531, 2023 | 8 | 2023 |
| Novel irreversible peptidic inhibitors of transglutaminase 2 NJ Cundy, J Arciszewski, EWJ Gates, SL Acton, KD Passley, ... RSC Medicinal Chemistry 14 (2), 378-385, 2023 | 7 | 2023 |
| Estimating the binding energetics of reversible covalent inhibitors of the SARS-CoV-2 main protease: an in silico study E Awoonor-Williams Physical Chemistry Chemical Physics 24 (38), 23391-23401, 2022 | 7 | 2022 |
| The hydration structure of carbon monoxide by ab initio methods E Awoonor-Williams, CN Rowley The Journal of Chemical Physics 146 (3), 2017 | 7 | 2017 |
| Modelling covalent modification of cysteine residues in proteins E Awoonor-Williams Memorial University of Newfoundland, 2020 | 6 | 2020 |
| Calculating the Full Free Energy Profile for Covalent Modification of a Druggable Cysteine in Bruton’s Tyrosine Kinase E Awoonor-Williams, C Rowley | 5 | 2020 |
Christopher RowleyAssociate Professor of Chemistry, Carleton UniversityPreverjeni e-poštni naslov na cunet.carleton.ca
