A novel method to evaluate protein solubility using a high throughput screening approach

2009 ◽  
Vol 64 (17) ◽  
pp. 3778-3788 ◽  
Author(s):  
Matthias Wiendahl ◽  
Christiane Völker ◽  
Ilka Husemann ◽  
Janus Krarup ◽  
Arne Staby ◽  
...  
Keyword(s):  
High Throughput ◽  
High Throughput Screening ◽  
Protein Solubility ◽  
Screening Approach ◽  
Novel Method

A Cell-based High-throughput Screening Approach for the Discovery of New Inhibitors of the Influenza H5N1 Virus

2008 ◽  
Vol 78 (2) ◽  
pp. A48
Author(s):  
William Severson ◽  
Joseph Maddry ◽  
Xi Chen ◽  
Subramaniam Ananthan ◽  
Adrian Poffenberger ◽  
...  
Keyword(s):  
High Throughput ◽  
High Throughput Screening ◽  
H5n1 Virus ◽  
Screening Approach ◽  
A Cell ◽  
Influenza H5n1

scholarly journals Identification of novel small molecule inhibitors of adenovirus gene transfer using a high throughput screening approach

2013 ◽  
Vol 170 (1) ◽  
pp. 132-140 ◽  
Author(s):  
Margaret R. Duffy ◽  
Alan L. Parker ◽  
Eric R. Kalkman ◽  
Katie White ◽  
Dmytro Kovalskyy ◽  
...  
Keyword(s):  
Gene Transfer ◽  
Small Molecule ◽  
High Throughput ◽  
High Throughput Screening ◽  
Small Molecule Inhibitors ◽  
Screening Approach

scholarly journals Identification of hepcidin antagonists through a high throughput screening approach

2010 ◽  
Vol 24 (S1) ◽  
Author(s):  
Eileen Fung ◽  
Jason Hsu ◽  
Robert Damoiseaux ◽  
Tomas Ganz ◽  
Elizabeta Nemeth
Keyword(s):  
High Throughput ◽  
High Throughput Screening ◽  
Screening Approach

scholarly journals DRABAL: novel method to mine large high-throughput screening assays using Bayesian active learning

2016 ◽  
Vol 8 (1) ◽  
Author(s):  
Othman Soufan ◽  
Wail Ba-Alawi ◽  
Moataz Afeef ◽  
Magbubah Essack ◽  
Panos Kalnis ◽  
...  
Keyword(s):  
Active Learning ◽  
High Throughput ◽  
High Throughput Screening ◽  
Novel Method ◽  
Screening Assays

scholarly journals A High-Throughput Screening Approach for the Optoelectronic Properties of Conjugated Polymers

2018 ◽  
Author(s):  
Liam Wilbraham ◽  
Enrico Berardo ◽  
Lukas Turcani ◽  
Kim Jelfs ◽  
Martijn Zwijnenburg
Keyword(s):  
Conjugated Polymers ◽  
Electronic Properties ◽  
High Throughput ◽  
High Throughput Screening ◽  
Density Functional ◽  
Tight Binding ◽  
Computational Cost ◽  
Quality Data ◽  
Minor Variation ◽  
Screening Approach

<p>We propose a general high-throughput virtual screening approach for the optical and electronic properties of conjugated polymers. This approach makes use of the recently developed xTB family of low-computational-cost density functional tight-binding methods from Grimme and co-workers, calibrated here to (TD-)DFT data computed for a representative diverse set of (co-)polymers. Parameters drawn from the resulting calibration using a linear model can then be applied to the xTB derived results for new polymers, thus generating near DFT-quality data with orders of magnitude reduction in computational cost. As a result, after an initial computational investment for calibration, this approach can be used to quickly and accurately screen on the order of thousands of polymers for target applications. We also demonstrate that the (opto)electronic properties of the conjugated polymers show only a very minor variation when considering different conformers and that the results of high-throughput screening are therefore expected to be relatively insensitive with respect to the conformer search methodology applied.</p>

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