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646 results about "Protein structure" patented technology

Protein structure is the three-dimensional arrangement of atoms in an amino acid-chain molecule. Proteins are polymers – specifically polypeptides – formed from sequences of amino acids, the monomers of the polymer. A single amino acid monomer may also be called a residue indicating a repeating unit of a polymer. Proteins form by amino acids undergoing condensation reactions, in which the amino acids lose one water molecule per reaction in order to attach to one another with a peptide bond. By convention, a chain under 30 amino acids is often identified as a peptide, rather than a protein. To be able to perform their biological function, proteins fold into one or more specific spatial conformations driven by a number of non-covalent interactions such as hydrogen bonding, ionic interactions, Van der Waals forces, and hydrophobic packing. To understand the functions of proteins at a molecular level, it is often necessary to determine their three-dimensional structure. This is the topic of the scientific field of structural biology, which employs techniques such as X-ray crystallography, NMR spectroscopy, and dual polarisation interferometry to determine the structure of proteins.

Method for predicting the onset or change of a medical condition

InactiveUS20050119534A1Minimizes adverse reactionMaximize therapeutic responseDrug and medicationsSurgeryMedical recordCost effectiveness
Nonlinear generalized dynamic regression analysis system and method of the present invention preferably uses all available data at all time points and their measured time relationship to each other to predict responses of a single output variable or multiple output variables simultaneously. The present invention, in one aspect, is a system and method for predicting whether an intervention administered to a patient changes the physiological, pharmacological, pathophysiological, or pathopsychological state of the patient with respect to a specific medical condition. The present invention uses the theory of martingales to derive the probabilistic properties for statistical evaluations. The approach uniquely models information in the following domains: (1) analysis of clinical trials and medical records including efficacy, safety, and diagnostic patterns in humans and animals, (2) analysis and prediction of medical treatment cost-effectiveness, (3) the analysis of financial data, (4) the prediction of protein structure, (5) analysis of time dependent physiological, psychological, and pharmacological data, and any other field where ensembles of sampled stochastic processes or their generalizations are accessible. A quantitative medical condition evaluation or medical score provides a statistical determination of the existence or onset of a medical condition.
Owner:PFIZER PROD INC +1

Protein modeling tools

InactiveUS20030130797A1Rapid and computationally efficient generationEfficient representationDepsipeptidesPeptide preparation methodsProtein modellingSide chain
The invention provides a new, efficient method for the assembly of protein tertiary structure from known, loosely encoded secondary structure constraints and sparse information about exact side chain contacts. The method is based on a new method for the reduced modeling of protein structure and dynamics, where the protein is described by representing side chain centers of mass rather than alpha-carbons. The model has implicit, built-in multi-body correlations that simulate short- and long-range packing preferences, hydrogen bonding cooperativity, and a mean force potential describing hydrophobic interactions. Due to the simplicity of the protein representation and definition of the model force field, the Monte Carlo algorithm is at least an order of magnitude faster than previously published Monte Carlo algorithms for three-dimensional structure assembly. In contrast to existing algorithms, the new method requires a smaller number of tertiary constraints for successful fold assembly; on average, one for every seven residues as compared to one for every four residues. The reliability and robustness of the invention make it useful for routine application in model building protocols based on various (and even very sparse) experimentally-derived structural constraints.
Owner:SKOLNICK JEFFREY +1

Forecasting method for multi-stage differential evolution protein structure based on abstract bulge estimation

The invention relates to a forecasting method for a multi-stage differential evolution protein structure based on abstract bulge estimation. The method comprises the following steps: firstly, calculating the distance from each conformation individual in a current colony to a new conformation and performing ascending sorting according to the distance; then selecting the part of the new conformation individual close to a abstract bulge lower-limit estimation support surface of the conformation individual, thereby acquiring an energy lower-limit estimation value of the new conformation individual; calculating an average estimation error between the energy lower-limit estimation value of all the new conformation individuals and a practical energy value; dividing the whole algorithm into a plurality of optimizing stages according to the change in the average estimation error; judging the stage of the present iteration according to the average estimation error in the last iteration; and designing different strategies for all the stages and generating the new conformation individual. The forecasting method for the multi-stage differential evolution protein structure based on the colony abstract bulge estimation provided by the invention is high in forecasting precision and low in calculation cost.
Owner:ZHEJIANG UNIV OF TECH

Analytical method for researching protein structure or protein-protein interaction

The invention relates to an analytical method for researching protein structure or protein-protein interaction. The method comprises the following steps: performing crosslinking and enzymolysis on a protein composite in a cell by using a crosslinking agent with reactive groups on two sides and a breakable group, and taking a part of the enzymatic hydrolysate for a derivatization reaction for mass spectrometry; after breaking the crosslinking agent by means of a chemical method for the other part of the enzymatic hydrolysate, enriching peptide sections with an enriching material, and performing mass spectrometry on the enzymatic hydrolysate without the enriched peptide sections; determining the crosslinked peptide sections according to a library searching result so as to establish a peptide section library; finding out a candidate peptide section from the peptide section library according to N-terminal amino acid information of the crosslinked peptide section determined in the mass spectrogram of the crosslinked peptide section; and determining the crosslinked peptide section sequence by combining the mass spectrogram m/z of the crosslinked peptide section and the characteristic ions of the peptide section so as to obtain the protein structure and protein-protein interaction information. The method has the advantage of being simple to operate, and is applied to structural analysis of proteins and analysis of protein-protein composite interaction.
Owner:DALIAN INST OF CHEM PHYSICS CHINESE ACAD OF SCI

Method for predicting secondary structure of protein based on multiple evolution matrices

The present invention discloses a method for predicting a secondary structure of the protein based on multiple evolution matrices. The method comprises: downloading a protein NR database and a BLAST program local software package to generate a position-specific scoring matrix PSSM of a given protein sequence, carrying out parameter adjustment on the PSI-BLAST program to obtain evolution matrices of different divergence degrees of the protein sequence; processing all eigenvectors in the evolution matrices to form multiple evolution matrix features; taking the multiple evolution matrix features as input of a classifier and evaluating classification accuracy to obtain an optimization model; and for the protein with an unknown structure, inputting the optimization model, and predicting the secondary structure of the protein. According to the method disclosed by the present invention, for a protein sequence, multiple matrices with different evolutionary divergence degrees are simultaneously used to express the protein sequence, so that the protein structure information is more fully expressed, the possibility of residue replacement is considered more comprehensively, accuracy for predicting the secondary structure of the protein is improved, and the encoding method is simple and effective.
Owner:QILU UNIV OF TECH
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