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Awoonor‐Williams, Ernest
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1

Quantum Chemical Methods for Modeling Covalent Modification..:

Awoonor‐Williams, Ernest ; Isley III, William C. ; Dale, Stephen G....
Journal of Computational Chemistry.  41 (2019)  5 - p. 427-438 , 2019
Link: https://doi.org/10.1002/..
 
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2

Molecular Insights into the Impact of Mutations on the Bind..:

Awoonor-Williams, Ernest ; Abu-Saleh, Abd Al-Aziz A.
The Journal of Physical Chemistry B.  128 (2024)  12 - p. 2874-2884 , 2024
Link: https://doi.org/10.1021/..
 
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3

Prioritizing Mentorship as Scientific Leaders:

Deng, Jacky M. ; Ahmed, Salma Elgaili ; Awoonor-Williams, Ernest...
ACS Central Science.  10 (2024)  2 - p. 209-213 , 2024
Link: https://doi.org/10.1021/..
 
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4

Novel irreversible peptidic inhibitors of transglutaminase :

Cundy, Nicholas J. ; Arciszewski, Jane ; Gates, Eric W. J....
RSC Medicinal Chemistry.  14 (2023)  2 - p. 378-385 , 2023
Link: https://doi.org/10.1039/..
 
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5

Benchmarking In Silico Tools for Cysteine pKa Prediction:

Awoonor-Williams, Ernest ; Golosov, Andrei A. ; Hornak, Viktor
Journal of Chemical Information and Modeling.  63 (2023)  7 - p. 2170-2180 , 2023
Link: https://doi.org/10.1021/..
 
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6

Leveraging Advanced In Silico Techniques in Early Drug Disc..:

Awoonor-Williams, Ernest ; Dickson, Callum J. ; Furet, Pascal..
Journal of Chemical Information and Modeling.  63 (2023)  8 - p. 2520-2531 , 2023
Link: https://doi.org/10.1021/..
 
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7

Estimating the binding energetics of reversible covalent in..:

Awoonor-Williams, Ernest
Physical Chemistry Chemical Physics.  24 (2022)  38 - p. 23391-23401 , 2022
Link: https://doi.org/10.1039/..
 
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8

Modeling the Binding and Conformational Energetics of a Tar..:

Awoonor-Williams, Ernest ; Rowley, Christopher N.
Journal of Chemical Information and Modeling.  61 (2021)  10 - p. 5234-5242 , 2021
Link: https://doi.org/10.1021/..
 
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9

Covalent and non-covalent binding free energy calculations ..:

Awoonor-Williams, Ernest ; Abu-Saleh, Abd Al-Aziz A.
Physical Chemistry Chemical Physics.  23 (2021)  11 - p. 6746-6757 , 2021
Link: https://doi.org/10.1039/..
 
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10

How Reactive are Druggable Cysteines in Protein Kinases?:

Awoonor-Williams, Ernest ; Rowley, Christopher N.
Journal of Chemical Information and Modeling.  58 (2018)  9 - p. 1935-1946 , 2018
Link: https://doi.org/10.1021/..
 
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11

The hydration structure of methylthiolate from QM/MM molecu..:

Awoonor-Williams, Ernest ; Rowley, Christopher N.
The Journal of Chemical Physics.  149 (2018)  4 - p. , 2018
Link: https://doi.org/10.1063/..
 
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12

Modeling covalent-modifier drugs:

Awoonor-Williams, Ernest ; Walsh, Andrew G. ; Rowley, Christopher N.
Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics.  1865 (2017)  11 - p. 1664-1675 , 2017
Link: https://doi.org/10.1016/..
 
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13

The hydration structure of carbon monoxide by ab initio met..:

Awoonor-Williams, Ernest ; Rowley, Christopher N.
The Journal of Chemical Physics.  146 (2017)  3 - p. , 2017
Link: https://doi.org/10.1063/..
 
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14

Molecular simulation of nonfacilitated membrane permeation:

Awoonor-Williams, Ernest ; Rowley, Christopher N.
Biochimica et Biophysica Acta (BBA) - Biomembranes.  1858 (2016)  7 - p. 1672-1687 , 2016
Link: https://doi.org/10.1016/..
 
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15

Generalized Langevin Methods for Calculating Transmembrane ..:

Gaalswyk, Kari ; Awoonor-Williams, Ernest ; Rowley, Christopher N.
Journal of Chemical Theory and Computation.  12 (2016)  11 - p. 5609-5619 , 2016
Link: https://doi.org/10.1021/..
 
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