.png){kind=icon}
Return
Docking essential dynamics eigenstructures
.png){kind=icon}
PRE
AI
DOI：10.1002/prot.20569.png)
.png){kind=icon}
Original request for help.png){kind=icon}
Share.png){kind=icon}
Save
Abstract
En 中文
This article describes our attempts to dock the targets in CAPRI Rounds 3-5 using Hex 4.2, and it introduces a novel essential dynamics approach to generate multiple feasible conformations for docking. In the blind trial, the basic Hex algorithm found 1 high-accuracy solution for CAPRI Target 12, and several further medium- and low-accuracy solutions for Targets 11, 12, 13, and 14. Subsequent a posteriori docking of the targets using essential dynamics eigenstructures was found to give consistently better predictions than rigidly docking only the unbound or model-built starting structures. Some suggestions to improve this promising new approach are presented. (c) 2005 Wiley-Liss, Inc.
Keywords:
Hex
CAPRI
protein docking
distance constraints
essential dynamics
eigen-vector analysis
eigenstructures
polar Fourier correlation
AI Summary
Key information extracted from the uploaded paper, including a brief overview, abstract, background, key highlights, visual analysis, and future outlook.
Journal
P
IF:
2.8
Papers:
6.6K
Citations:
1.4W
Organization
No organization information available
Cited Papers
ShareSave
ShareSaveShareSaveStructure of a flavivirus envelope glycoprotein in its low-pH-induced membrane fusion conformation.png)
EMBO JOURNAL
OAAI
EMBO JOURNALIF8.3
OAAIShareSaveShareSave
View more