EP 1751669 A1 20070214 - COMPUTATIONAL PROTEIN PROBING TO IDENTIFY BINDING SITES
Title (en)
COMPUTATIONAL PROTEIN PROBING TO IDENTIFY BINDING SITES
Title (de)
RECHNERISCHE PROTEIN-SONDIERUNG ZUM IDENTIFIZIEREN VON BINDUNGSSTELLEN
Title (fr)
SONDAGE INFORMATIQUE DE PROTEINES POUR IDENTIFIER DES SITES DE LIAISON
Publication
Application
Priority
US 2004014069 W 20040506
Abstract (en)
[origin: WO2005114458A1] Provided is a method of identifying binding sites on a macromolecule comprising: (a) for at least one organic fragment (ORF), conducting, at separate values of parameter B, two or more simulated annealing of chemical potential calculations using the ORF as the inserted solvent; and (b) comparing converged solutions from step (a) to identify first locations at which the relevant ORF is strongly bound, thereby identifying candidate sites for binding ligand molecules.
IPC 8 full level
G16B 20/30 (2019.01); G06F 17/00 (2006.01); G06F 19/00 (2011.01); G16B 20/50 (2019.01)
CPC (source: EP US)
G16B 15/30 (2019.01 - EP US); G16B 20/00 (2019.01 - EP); G16B 20/30 (2019.01 - EP US); G16C 20/50 (2019.01 - EP); G16B 15/00 (2019.01 - EP); G16B 20/50 (2019.01 - EP US)
Designated contracting state (EPC)
AT BE BG CH CY CZ DE DK EE ES FI FR GB GR HU IE IT LI LU MC NL PL PT RO SE SI SK TR
DOCDB simple family (publication)
WO 2005114458 A1 20051201; EP 1751669 A1 20070214; EP 1751669 A4 20081105; JP 2007536618 A 20071213
DOCDB simple family (application)
US 2004014069 W 20040506; EP 04822039 A 20040506; JP 2007511330 A 20040506