COMPUTER-AIDED METHOD FOR THE PROVISION, IDENTIFICATION AND...

Data processing: measuring – calibrating – or testing – Measurement system in a specific environment – Biological or biochemical

Reexamination Certificate

Rate now

  [ 0.00 ] – not rated yet Voters 0   Comments 0

Details

C702S022000, C702S023000, C702S127000, C702S150000, C702S155000, C435S006120, C435S007100

Reexamination Certificate

active

07024311

ABSTRACT:
The present invention is concerned with a computer-aided method for the provision, identification and description of molecules exhibiting a desired behaviour, more particularly in the pharmaceutical sector, employing a molecular modelling step, a combinatorial library building step and a step of selecting potentially useful molecules, said method including a step whereby the candidate molecules are filtered using a dynamic filter representing constraints of conformational variations which the molecules must satisfy in order to exhibit said activity.

REFERENCES:
patent: 5463564 (1995-10-01), Agrafiotis et al.
patent: 5784294 (1998-07-01), Platt et al.
patent: 6182016 (2001-01-01), Liang et al.
patent: 6185506 (2001-02-01), Cramer et al.
patent: 6240374 (2001-05-01), Cramer et al.
patent: WO 97/27559 (1997-07-01), None
patent: 98/46633 (1998-10-01), None
Krieger (Chemical and Engineering News, (Feb. 12, 1996) vol. 74, No. 7, pp. 67-73).
Krieger (Chemical and Engineering News,(Sep. 16, 1996) vol. 74, No. 38, pp. 30-37).
Hruby et al. Biochem Journal (1990) vol. 268 pp. 249-262.
Ajay et al. J Med. Chem. 1999, vol. 42 pp. 4942-4951.
Grassy, Gerard., et al., “Computer-assisted rational design of immunosuppressive compounds.” Nature Biotechnology 16 748-752 Aug. 1998.
G. Grassy, J. Fagart, B. Calas, M. Adenot, ME Rafestin-Oblin, G. Auzou,Structure-activity relationships of steroids with mineralocorticoid activity, Eur. J. Med. Chem. (1997), 32, 869-879.
A. Yasri, L. Chiche, J. Haiech and G. Grassy,Rational Choice of Molecular Dynamics Simulation Parameters Through the Use of the Three-Dimensional Autocorrelation Method: Application to Calmodulin Flexibility Study, Protein Engineering, vol. 9, No. 11, pp. 959-976 (1996).
Grassy et al.,Statistical Analysis and Shape Recognition: Applications to MD Simulations, conformational analysis and Structure-Activity Relationships, Trends QSAR Mol. Modell, Proc. Eur. Symp. Struct.-Act. Relat., 1992, pp. 216-219.

LandOfFree

Say what you really think

Search LandOfFree.com for the USA inventors and patents. Rate them and share your experience with other people.

Rating

COMPUTER-AIDED METHOD FOR THE PROVISION, IDENTIFICATION AND... does not yet have a rating. At this time, there are no reviews or comments for this patent.

If you have personal experience with COMPUTER-AIDED METHOD FOR THE PROVISION, IDENTIFICATION AND..., we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and COMPUTER-AIDED METHOD FOR THE PROVISION, IDENTIFICATION AND... will most certainly appreciate the feedback.

Rate now

     

Profile ID: LFUS-PAI-O-3525770

  Search
All data on this website is collected from public sources. Our data reflects the most accurate information available at the time of publication.