Method and apparatus for analysis of molecular combination...

Data processing: measuring – calibrating – or testing – Measurement system in a specific environment – Chemical analysis

Reexamination Certificate

Rate now

  [ 0.00 ] – not rated yet Voters 0   Comments 0

Details

C702S019000

Reexamination Certificate

active

06970790

ABSTRACT:
A method and apparatus for analysis of molecular combinations featuring two or more molecular subsets is described. The computational method estimates the electrostatic affinity of the system via utilization of a basis expansion representing charge density and electrostatic potential functions associated with the first and second molecular subsets in a coordinate system. An electrostatic affinity, representing a correlation of the charge density and electrostatic potential functions of the first and second molecular subsets, is computed via suitable application of translation and rotation operators to the basis expansion coefficients over a sequence of different sampled configurations for the molecular combination. The method may also be combined with other methods for computation of shape complementarity in determining a composite or augmented score reflecting both electrostatic affinity and shape complementarity for configurations of a molecular combination.

REFERENCES:
patent: 4939666 (1990-07-01), Hardman
patent: 5260882 (1993-11-01), Blanco et al.
patent: 5424963 (1995-06-01), Turner et al.
patent: 5495423 (1996-02-01), DeLisi et al.
patent: 5703792 (1997-12-01), Chapman
patent: 5915230 (1999-06-01), Berne et al.
patent: 6230102 (2001-05-01), Tidor et al.
patent: 2002/0062155 (2002-05-01), Itai et al.
patent: 2002/0133298 (2002-09-01), Silverman
patent: 2005/0027457 (2005-02-01), Mandell et al.
patent: 2005/0027458 (2005-02-01), Merz et al.
patent: 2005/0038610 (2005-02-01), Mayo et al.
patent: 2005/0055165 (2005-03-01), Purvis, III

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

Method and apparatus for analysis of molecular combination... does not yet have a rating. At this time, there are no reviews or comments for this patent.

If you have personal experience with Method and apparatus for analysis of molecular combination..., we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Method and apparatus for analysis of molecular combination... will most certainly appreciate the feedback.

Rate now

     

Profile ID: LFUS-PAI-O-3461171

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