E-LIB Suche - Ergebnisse für: Bennion, Brian J.

1

Advances in Computational Approaches for Estimating Passive..:

Bernardi, Austen ; Bennett, W. F. Drew ; He, Stewart...
Membranes. 13 (2023) 11 - p. 851 , 2023

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/..

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/..