TY - JOUR
T1 - Description of protein-DNA complexes in terms of electron-density topological features
AU - Becue, Andy
AU - Meurice, Nathalie
AU - Leherte, Laurence
AU - Vercauteren, Daniel P.
PY - 2003/12
Y1 - 2003/12
N2 - This paper presents a computer-modelling approach for the generation of low-resolution representations of two protein-DNA complexes, NF-κB and HIF-1. The representation is obtained by topological analysis of electron-density maps at 2.85 A crystallographic resolution, which leads to a set containing a limited number of critical points (CP). Analyses of the structure and properties of the CP graphs (density at peak position, volume and ellipticity), as well as comparisons with other reduced representations, are performed in order to assess the usefulness of such representations in molecular-docking applications at medium resolution.
AB - This paper presents a computer-modelling approach for the generation of low-resolution representations of two protein-DNA complexes, NF-κB and HIF-1. The representation is obtained by topological analysis of electron-density maps at 2.85 A crystallographic resolution, which leads to a set containing a limited number of critical points (CP). Analyses of the structure and properties of the CP graphs (density at peak position, volume and ellipticity), as well as comparisons with other reduced representations, are performed in order to assess the usefulness of such representations in molecular-docking applications at medium resolution.
UR - http://www.scopus.com/inward/record.url?scp=0347693068&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0347693068&partnerID=8YFLogxK
U2 - 10.1107/S0907444903019267
DO - 10.1107/S0907444903019267
M3 - Article
C2 - 14646073
AN - SCOPUS:0347693068
SN - 0907-4449
VL - 59
SP - 2150
EP - 2162
JO - Acta Crystallographica - Section D Biological Crystallography
JF - Acta Crystallographica - Section D Biological Crystallography
IS - 12
ER -