Pharmacophore Pattern Application in Virtual Screening. Library Design and QSAR

2000 ◽  
pp. 131-159 ◽  
Author(s):  
Andrew C. Good ◽  
Jonathan S. Mason ◽  
Stephen D. Pickett
Keyword(s):  
Virtual Screening ◽  
Library Design ◽  
Pattern Application ◽  
Screening Library

scholarly journals Property-based characterization of kinase-like ligand space for library design and virtual screening

MedChemComm ◽  
2015 ◽  
Vol 6 (10) ◽  
pp. 1898-1904 ◽  
Author(s):  
Dávid Bajusz ◽  
György G. Ferenczy ◽  
György M. Keserű
Keyword(s):  
Virtual Screening ◽  
Library Design ◽  
Large Compound

A property-based desirability scoring scheme has been developed for kinase-focused library design and ligand-based pre-screening of large compound sets.

Application of Negative Design To Design a More Desirable Virtual Screening Library

2020 ◽  
Vol 63 (9) ◽  
pp. 4411-4429 ◽  
Author(s):  
Zi-Yi Yang ◽  
Jun-Hong He ◽  
Ai-Ping Lu ◽  
Ting-Jun Hou ◽  
Dong-Sheng Cao
Keyword(s):  
Virtual Screening ◽  
Screening Library

Human recombinant beta-secretase immobilized enzyme reactor for fast hits’ selection and characterization from a virtual screening library

2013 ◽  
Vol 73 ◽  
pp. 131-134 ◽  
Author(s):  
Angela De Simone ◽  
Francesca Mancini ◽  
Sandro Cosconati ◽  
Luciana Marinelli ◽  
Valeria La Pietra ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Immobilized Enzyme ◽  
Enzyme Reactor ◽  
Immobilized Enzyme Reactor ◽  
Beta Secretase ◽  
Screening Library

Automated Recycling of Chemistry for Virtual Screening and Library Design

2012 ◽  
Vol 52 (7) ◽  
pp. 1777-1786 ◽  
Author(s):  
Mikko J. Vainio ◽  
Thierry Kogej ◽  
Florian Raubacher
Keyword(s):  
Virtual Screening ◽  
Library Design

A fresh look at pharmaceutical screening library design

2003 ◽  
Vol 8 (15) ◽  
pp. 668-672 ◽  
Author(s):  
Ramaswamy Nilakantan ◽  
David S. Nunn
Keyword(s):  
Library Design ◽  
Pharmaceutical Screening ◽  
Screening Library
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