Molecular interaction predictors
AssigneeMicrosoft Corporation
InventorsNebojsa Jojic, Manuel Gomez
Life of this patent
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Abstract
Adaptive threading models for predicting an interaction between two or more molecules such as proteins are provided. The adaptive threading models have one or more learnable parameters that can be learned from all or some of the available data. The available data can include data relating to known interactions between the two or more molecules, the composition of the molecules and the geometry of the molecular complex.
Claims21
A system stored on computer-readable media, comprising:
- two or more parameters machine learned at least in part utilizing data relating to a set of known interactions between proteins and ligands, two of the two or more parameters relating to pairwise contact potentials and weights;
- and
- a prediction component configured to predict information relating to an unknown interaction between a protein and a ligand by employing information about the protein's sequence, the ligand's sequence, a geometry of a protein-ligand complex and an adjusted threading model comprising the two or more parameters.
(canceled)
11-20. (canceled)
Computer-executable instructions stored on computer-readable media, the computer-executable instructions encoding a method, comprising:
- providing two or more parameters machine learned at least in part utilizing data relating to a set of known interactions between proteins and ligands, two of the two or more parameters comprising pairwise contact potentials and weights;
- and
- predicting information relating to an unknown interaction between a protein and a ligand using the two or more parameters and information about the protein's sequence, the ligand's sequence and a geometry of a protein-ligand complex.
A method for generating an adaptive threading system, the method stored on computer-readable media, the method comprising:
- machine learning two or more parameters at least in part utilizing data relating to a set of known interactions between proteins and ligands, two of the two or more parameters comprising pairwise contact potentials and weights.
Dependencies are inferred from the claim text.