Ernest Awoonor-Williams
Ernest Awoonor-Williams
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Molecular simulation of nonfacilitated membrane permeation
E Awoonor-Williams, CN Rowley
Biochimica et Biophysica Acta (BBA)-Biomembranes 1858 (7), 1672-1687, 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
Modeling covalent-modifier drugs
E Awoonor-Williams, AG Walsh, CN Rowley
Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1865 (11), 1664-1675, 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
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
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
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
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
The hydration structure of methylthiolate from QM/MM molecular dynamics
E Awoonor-Williams, CN Rowley
The Journal of chemical physics 149 (4), 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
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
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
Measuring and predicting warhead and residue reactivity
E Awoonor-Williams, J Kennedy, CN Rowley
Annual Reports in Medicinal Chemistry 56, 203-227, 2021
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
The hydration structure of carbon monoxide by ab initio methods
E Awoonor-Williams, CN Rowley
The Journal of Chemical Physics 146 (3), 2017
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
Modelling covalent modification of cysteine residues in proteins
E Awoonor-Williams
Memorial University of Newfoundland, 2020
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
Calculating the Full Free Energy Profile for Covalent Modification of a Druggable Cysteine in Bruton’s Tyrosine Kinase
E Awoonor-Williams, C Rowley
Synthesis and antimicrobial properties of lipophilic Schiff base copper and palladium complexes
EN Daley, KA Moffat, MN Wilson, MM Brown, ES Awoonor-Williams, ...
Transition Metal Chemistry 40, 605-612, 2015
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