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Bennion, Brian J.
78
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Online (78)
Mediatypes
Articles (Online) (37)
Bookchapter (Online) (1)
OpenAccess-fulltext (40)
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1
Advances in Computational Approaches for Estimating Passive..:
Bernardi, Austen
;
Bennett, W. F. Drew
;
He, Stewart
...
Membranes. 13 (2023) 11 - p. 851 , 2023
Link:
https://doi.org/10.3390/..
?
2
Evaluating point-prediction uncertainties in neural network..:
Fan, Ya Ju
;
Allen, Jonathan E.
;
McLoughlin, Kevin S.
...
Artificial Intelligence Chemistry. 1 (2023) 1 - p. 100004 , 2023
Link:
https://doi.org/10.1016/..
?
3
OFraMP: a fragment-based tool to facilitate the parametriza..:
Stroet, Martin
;
Caron, Bertrand
;
Engler, Martin S.
...
Journal of Computer-Aided Molecular Design. 37 (2023) 8 - p. 357-371 , 2023
Link:
https://doi.org/10.1007/..
?
4
Clustering Protein Binding Pockets and Identifying Potentia..:
Stevenson, Garrett A.
;
Kirshner, Dan
;
Bennion, Brian J.
...
Journal of Chemical Information and Modeling. 63 (2023) 21 - p. 6655-6666 , 2023
Link:
https://doi.org/10.1021/..
?
5
Discovery of Small-Molecule Inhibitors of SARS-CoV-2 Protei..:
Lau, Edmond Y.
;
Negrete, Oscar A.
;
Bennett, W. F. Drew
...
Frontiers in Molecular Biosciences. 8 (2021) - p. , 2021
Link:
https://doi.org/10.3389/..
?
6
Development of a CNS-permeable reactivator for nerve agent ..:
Bennion, Brian J.
;
Malfatti, Michael A.
;
Be, Nicholas A.
...
Scientific Reports. 11 (2021) 1 - p. , 2021
Link:
https://doi.org/10.1038/..
?
7
High-throughput virtual screening of small molecule inhibit..:
, In:
Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis
,
Stevenson, Garrett A.
;
Jones, Derek
;
Kim, Hyojin
... - p. 1-13 , 2021
Link:
https://dl.acm.org/doi/1..
?
8
Machine Learning Models to Predict Inhibition of the Bile S..:
McLoughlin, Kevin S.
;
Jeong, Claire G.
;
Sweitzer, Thomas D.
...
Journal of Chemical Information and Modeling. 61 (2021) 2 - p. 587-602 , 2021
Link:
https://doi.org/10.1021/..
?
9
The biodistribution and pharmacokinetics of the oxime acety..:
Malfatti, Michael A.
;
Enright, Heather A.
;
Be, Nicholas A.
...
Chemico-Biological Interactions. 277 (2017) - p. 159-167 , 2017
Link:
https://doi.org/10.1016/..
?
10
Predicting a Drug's Membrane Permeability: A Computational ..:
Bennion, Brian J.
;
Be, Nicholas A.
;
McNerney, M. Windy
...
The Journal of Physical Chemistry B. 121 (2017) 20 - p. 5228-5237 , 2017
Link:
https://doi.org/10.1021/..
?
11
Reproducible radiation-damage processes in proteins irradia..:
Hau-Riege, Stefan P.
;
Bennion, Brian J.
Physical Review E. 91 (2015) 2 - p. , 2015
Link:
https://doi.org/10.1103/..
?
12
A Wrench in the Works of Human Acetylcholinesterase: Soman ..:
Bennion, Brian J.
;
Essiz, Sebnem G.
;
Lau, Edmond Y.
...
PLOS ONE. 10 (2015) 4 - p. e0121092 , 2015
Link:
https://doi.org/10.1371/..
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13
Large-Scale First-Principles Molecular Dynamics Simulations..:
Fattebert, Jean-Luc
;
Lau, Edmond Y.
;
Bennion, Brian J.
..
Journal of Chemical Theory and Computation. 11 (2015) 12 - p. 5688-5695 , 2015
Link:
https://doi.org/10.1021/..
?
14
Adverse Drug Reaction Prediction Using Scores Produced by L..:
LaBute, Montiago X.
;
Zhang, Xiaohua
;
Lenderman, Jason
...
PLoS ONE. 9 (2014) 9 - p. e106298 , 2014
Link:
https://doi.org/10.1371/..
?
15
Oximes: Inhibitors of Human Recombinant Acetylcholinesteras..:
Sepsova, Vendula
;
Karasova, Jana
;
Korabecny, Jan
...
International Journal of Molecular Sciences. 14 (2013) 8 - p. 16882-16900 , 2013
Link:
https://doi.org/10.3390/..
1-15