Small Molecule Docking from Theoretical Structural Models

2012 ◽  
pp. 75-95
Author(s):  
Eva Maria Novoa ◽  
Lluis Ribas de Pouplana ◽  
Modesto Orozco
Keyword(s):  
Small Molecule ◽  
Structural Models ◽  
Molecule Docking

scholarly journals Tailoring the specificity of the type C feruloyl esterase FoFaeC from Fusarium oxysporum towards methyl sinapate by rational redesign based on small molecule docking simulations

PLoS ONE ◽  
2018 ◽  
Vol 13 (5) ◽  
pp. e0198127 ◽  
Author(s):  
Io Antonopoulou ◽  
Cameron Hunt ◽  
Gabriella Cerullo ◽  
Simona Varriale ◽  
Alexandra Gerogianni ◽  
...  
Keyword(s):  
Fusarium Oxysporum ◽  
Small Molecule ◽  
Feruloyl Esterase ◽  
Docking Simulations ◽  
Type C ◽  
Molecule Docking

Correction to On the Applicability of Elastic Network Normal Modes in Small-Molecule Docking

2014 ◽  
Vol 54 (12) ◽  
pp. 3453-3453 ◽  
Author(s):  
Matthias Dietzen ◽  
Elena Zotenko ◽  
Andreas Hildebrandt ◽  
Thomas Lengauer
Keyword(s):  
Small Molecule ◽  
Normal Modes ◽  
Elastic Network ◽  
Molecule Docking

On the Applicability of Elastic Network Normal Modes in Small-Molecule Docking

2012 ◽  
Vol 52 (3) ◽  
pp. 844-856 ◽  
Author(s):  
Matthias Dietzen ◽  
Elena Zotenko ◽  
Andreas Hildebrandt ◽  
Thomas Lengauer
Keyword(s):  
Small Molecule ◽  
Normal Modes ◽  
Elastic Network ◽  
Molecule Docking

Small Molecule Docking

2008 ◽  
pp. 469-500 ◽  
Author(s):  
R. A. Friesner ◽  
M. Repasky ◽  
R. Farid
Keyword(s):  
Small Molecule ◽  
Molecule Docking

scholarly journals ClusPro LigTBM: Automated Template-based Small Molecule Docking

2020 ◽  
Vol 432 (11) ◽  
pp. 3404-3410 ◽  
Author(s):  
Andrey Alekseenko ◽  
Sergei Kotelnikov ◽  
Mikhail Ignatov ◽  
Megan Egbert ◽  
Yaroslav Kholodov ◽  
...  
Keyword(s):  
Small Molecule ◽  
Molecule Docking
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