(19)
(11) EP 1 140 737 A2

(12)

(88) Date of publication A3:
04.01.2001

(43) Date of publication:
10.10.2001 Bulletin 2001/41

(21) Application number: 99967640.6

(22) Date of filing: 22.12.1999
(51) International Patent Classification (IPC)7C07B 61/00, C07H 19/01, G06F 17/50
(86) International application number:
PCT/US9930/948
(87) International publication number:
WO 0039/751 (06.07.2000 Gazette 2000/27)
(84) Designated Contracting States:
AT BE CH CY DE DK ES FI FR GB GR IE IT LI LU MC NL PT SE

(30) Priority: 24.12.1998 US 220363

(71) Applicant: HARVARD UNIVERSITY
CambridgeMassachusetts 02138 (US)

(72) Inventors:
  • DEWITTE, Robert, S.
    Gurnee, IL 60031 (US)
  • SHAKHNOVICH, Eugene, I.
    Lexington, MA 02173 (US)

(74) Representative: Vossius, Volker, Dr. et al
Patent- und RechtsanwaltskanzleiHolbeinstrasse 5
81679 München
81679 München (DE)

   


(54) SYSTEM AND METHOD FOR STRUCTURE-BASED DRUG DESIGN THAT INCLUDES ACCURATE PREDICTION OF BINDING FREE ENERGY