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Title: Maximum likelihood density modification by pattern recognition of structural motifs

Abstract

An electron density for a crystallographic structure having protein regions and solvent regions is improved by maximizing the log likelihood of a set of structures factors {F.sub.h } using a local log-likelihood function: (x)+p(.rho.(x).vertline.SOLV)p.sub.SOLV (x)+p(.rho.(x).vertline.H)p.sub.H (x)], where p.sub.PROT (x) is the probability that x is in the protein region, p(.rho.(x).vertline.PROT) is the conditional probability for .rho.(x) given that x is in the protein region, and p.sub.SOLV (x) and p(.rho.(x).vertline.SOLV) are the corresponding quantities for the solvent region, p.sub.H (x) refers to the probability that there is a structural motif at a known location, with a known orientation, in the vicinity of the point x; and p(.rho.(x).vertline.H) is the probability distribution for electron density at this point given that the structural motif actually is present. One appropriate structural motif is a helical structure within the crystallographic structure.

Inventors:
Issue Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1174811
Patent Number(s):
6721664
Application Number:
09/769,612
Assignee:
University Of California, The Regents Of
Patent Classifications (CPCs):
G - PHYSICS G06 - COMPUTING G06K - RECOGNITION OF DATA
DOE Contract Number:  
W-7405-ENG-36
Resource Type:
Patent
Country of Publication:
United States
Language:
English
Subject:
59 BASIC BIOLOGICAL SCIENCES

Citation Formats

Terwilliger, Thomas C. Maximum likelihood density modification by pattern recognition of structural motifs. United States: N. p., 2004. Web.
Terwilliger, Thomas C. Maximum likelihood density modification by pattern recognition of structural motifs. United States.
Terwilliger, Thomas C. Tue . "Maximum likelihood density modification by pattern recognition of structural motifs". United States. https://www.osti.gov/servlets/purl/1174811.
@article{osti_1174811,
title = {Maximum likelihood density modification by pattern recognition of structural motifs},
author = {Terwilliger, Thomas C.},
abstractNote = {An electron density for a crystallographic structure having protein regions and solvent regions is improved by maximizing the log likelihood of a set of structures factors {F.sub.h } using a local log-likelihood function: (x)+p(.rho.(x).vertline.SOLV)p.sub.SOLV (x)+p(.rho.(x).vertline.H)p.sub.H (x)], where p.sub.PROT (x) is the probability that x is in the protein region, p(.rho.(x).vertline.PROT) is the conditional probability for .rho.(x) given that x is in the protein region, and p.sub.SOLV (x) and p(.rho.(x).vertline.SOLV) are the corresponding quantities for the solvent region, p.sub.H (x) refers to the probability that there is a structural motif at a known location, with a known orientation, in the vicinity of the point x; and p(.rho.(x).vertline.H) is the probability distribution for electron density at this point given that the structural motif actually is present. One appropriate structural motif is a helical structure within the crystallographic structure.},
doi = {},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2004},
month = {4}
}

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Works referenced in this record:

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