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Flexible Docking in Solution Using Metadynamics

โœ Scribed by Gervasio, Francesco Luigi; Laio, Alessandro; Parrinello, Michele

Book ID
120005485
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
545 KB
Volume
127
Category
Article
ISSN
0002-7863

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We have applied our docking program FLEXX to all eight CASP2 targets involving protein complexes with small ligands. Of the seven targets that were kept in the CASP2 experiment, we could solve two. We found important parts of the solution in four other examples, and were unsuccessful on the remainin