System and method for molecular modeling utilizing a sensitivity

Details System and method for molecular modeling utilizing a sensitivity System and method for molecular modeling utilizing a sensitivity

1995-02-08

1997-03-18

Voeltz, Emanuel T.

Boots, shoes, and leggings

364578, G06F 1750

Patent

active

056128940

ABSTRACT:
A computerized molecular modeling system is provided which graphically displays at least an initial and most likely structure of a molecule utilizing energy minimization and/or molecule dynamics techniques. The system utilizes a sensitivity factor to determine how often the less sensitive interactions, especially non-bonded interaction in a molecule should be recalculated during an energy minimization or molecular dynamics procedure. The sensitivity factor is based on each interaction's sensitivity to changes in the positions of the atoms that comprise it.

REFERENCES:
patent: 4855931 (1989-08-01), Saunders
patent: 4908781 (1990-03-01), Levinthal et al.
patent: 5008831 (1991-04-01), Feldman
patent: 5025388 (1991-06-01), Cramer
patent: 5159682 (1992-10-01), Toyonaga et al.
patent: 5200910 (1993-04-01), Subbiah
patent: 5307287 (1994-04-01), Cramer, III et al.
patent: 5438526 (1995-08-01), Itoh et al.
patent: 5448498 (1995-09-01), Namiki et al.
patent: 5463564 (1995-10-01), Agrafiotis et al.

Affiliated with

Also associated with

Rating

System and method for molecular modeling utilizing a sensitivity does not yet have a rating. At this time, there are no reviews or comments for this patent.

If you have personal experience with System and method for molecular modeling utilizing a sensitivity, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and System and method for molecular modeling utilizing a sensitivity will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFUS-PAI-O-1710767