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Ernest Awoonor-Williams
Ernest Awoonor-Williams
Novartis Institutes for BioMedical Research
Verified email at mun.ca
Title
Cited by
Cited by
Year
Molecular simulation of nonfacilitated membrane permeation
E Awoonor-Williams, CN Rowley
Biochimica et Biophysica Acta (BBA)-Biomembranes 1858 (7), 1672-1687, 2016
1122016
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
832016
Modeling covalent-modifier drugs
E Awoonor-Williams, AG Walsh, CN Rowley
Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1865 (11), 1664-1675, 2017
732017
How reactive are druggable cysteines in protein kinases?
E Awoonor-Williams, CN Rowley
Journal of Chemical Information and Modeling 58 (9), 1935-1946, 2018
442018
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
422016
Socio-economic and demographic disparities in ownership and use of insecticide-treated bed nets for preventing malaria among rural reproductive-aged women in northern Ghana
EW Kanmiki, JK Awoonor-Williams, JF Phillips, SP Kachur, SF Achana, ...
PloS one 14 (1), e0211365, 2019
372019
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
302020
The hydration structure of methylthiolate from QM/MM molecular dynamics
E Awoonor-Williams, CN Rowley
The Journal of chemical physics 149 (4), 045103, 2018
242018
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
202021
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
202015
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
142014
The hydration structure of carbon monoxide by ab initio methods
E Awoonor-Williams, CN Rowley
The Journal of Chemical Physics 146 (3), 034503, 2017
72017
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
62021
Copper (II) Inhibition of the SARS-CoV-2 Main Protease
RA Garza-Lopez, JJ Kozak, HB Gray
ChemRxiv, 2020
62020
Measuring and predicting warhead and residue reactivity
E Awoonor-Williams, J Kennedy, CN Rowley
Annual Reports in Medicinal Chemistry 56, 203-227, 2021
32021
Calculating the Full Free Energy Profile for Covalent Modification of a Druggable Cysteine in Bruton’s Tyrosine Kinase
E Awoonor-Williams, C Rowley
32020
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
22015
Modelling covalent modification of cysteine residues in proteins
E Awoonor-Williams
Memorial University of Newfoundland, 2020
12020
Novel Irreversible Peptidic Inhibitors of Transglutaminase 2
NJ Cundy, J Arciszewski, EWJ Gates, SL Acton, KD Passley, ...
RSC Medicinal Chemistry, 2023
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
2022
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