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GENERAL
TITLE
ESTIMATION OF RELATIVE DRUG-TARGET RESIDENCE TIMES BY RANDOM ACCELERATION MOLECULAR DYNAMICS SIMULATION
DATE LAST MODIFIED
16 Oct 2019
RELEASE
30 May 2018
OBSOLETE
CLASSIFICATION
CHAPERONE
EXPERIMENT TYPE
X-RAY DIFFRACTION
SPACE GROUP
I 2 2 2
RESOLUTION RANGE HIGH
2.2
RESOLUTION RANGE LOW
49.49
PUBMED ID
DOI
10.1021/ACS.JCTC.8B00230
PDBe
6EI5
LIGANDS
Chains
| Structure Chain | Target Protein | Gene | Expression System | Organism | Synonims | Actions |
|---|---|---|---|---|---|---|
| P06621 | HSP90AA1, HSP90A, HSPC1, HSPCA | ESCHERICHIA COLI | HUMAN | HEAT SHOCK 86 KDA,HSP86,LIPOPOLYSACCHARIDE-ASSOCIA ... |
NGL Viewer is used for the molecular visualization.
- AS Rose, AR Bradley, Y Valasatava, JM Duarte, A Prlić and PW Rose. NGL viewer: web-based molecular graphics for large complexes. Bioinformatics: bty419, 2018. doi:10.1093/bioinformatics/bty419
- AS Rose and PW Hildebrand. NGL Viewer: a web application for molecular visualization. Nucl Acids Res (1 July 2015) 43 (W1): W576-W579 first published online April 29, 2015. doi:10.1093/nar/gkv402