Title: Apparatus and method for determining microscale interactions based on compressive sensors such as crystal structures

Abstract

Techniques for determining values for a metric of microscale interactions include determining a mesoscale metric for a plurality of mesoscale interaction types, wherein a value of the mesoscale metric for each mesoscale interaction type is based on a corresponding function of values of the microscale metric for the plurality of the microscale interaction types. A plurality of observations that indicate the values of the mesoscale metric are determined for the plurality of mesoscale interaction types. Values of the microscale metric are determined for the plurality of microscale interaction types based on the plurality of observations and the corresponding functions and compressed sensing.

Inventors:

McAdams, Harley; AlQuraishi, Mohammed

Issue Date:

Tue Apr 21 00:00:00 EDT 2015

Research Org.:

Stanford Univ., CA (United States)

Sponsoring Org.:

USDOE

OSTI Identifier:

1178238

Patent Number(s):

9014988

Application Number:

13/426,824

Assignee:

The Board of Trustees of the Leland Stanford Jr. University (Palo Alto, CA)

Patent Classifications (CPCs):

G - PHYSICS G01 - MEASURING G01N - INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES

G - PHYSICS G06 - COMPUTING G06T - IMAGE DATA PROCESSING OR GENERATION, IN GENERAL

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G - PHYSICS G01 - MEASURING G01N - INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES

G01N23/20 - by using diffraction of the radiation by the materials, e.g. for investigating crystal structure

G - PHYSICS G06 - COMPUTING G06T - IMAGE DATA PROCESSING OR GENERATION, IN GENERAL

G06T11/006 - {Inverse problem, transformation from projection-space into object-space, e.g. transform methods, back-projection, algebraic methods}

G - PHYSICS G16 - INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS G16B - BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY

G16B15/00 - ICT specially adapted for analysing two-dimensional or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment
G16B15/20 - Protein or domain folding
G16B15/30 - Drug targeting using structural data

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DOE Contract Number:  

FG02-05ER64136

Resource Type:

Patent

Resource Relation:

Patent File Date: 2012 Mar 22

Country of Publication:

United States

Language:

English

Subject:

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 59 BASIC BIOLOGICAL SCIENCES; 47 OTHER INSTRUMENTATION