The invention describes an explicit solvent all-atom molecular dynamics methodology (SILCS: Site Identification by Ligand Competitive Saturation) that uses small aliphatic and aromatic molecules plus water molecules to map the affinity pattern of a large molecule for hydrophobic groups, aromatic groups, hydrogen bond donors, and hydrogen bond acceptors. By simultaneously incorporating ligands representative of all these functionalities, the method is an in silico free energy-based competition assay that generates three-dimensional probability maps of fragment binding (FragMaps) indicating favorable fragment:large molecule interactions. The FragMaps may be used to qualitatively inform the design of small-molecule ligands or as scoring grids for high-throughput in silico docking that incorporates both an atomic-level description of solvation and the large molecule's flexibility.

Described herein are systems and methods for creating a custom registration guide. In general, the methods may include receiving scan data of a patient's bone; creating instructions based on the scan data for creating a three-dimensional surface model of the patient's bone; and moving a plurality of moveable elements, coupled to the adjustable model, based on the instructions. The method may further include the steps of placing a malleable registration guide onto the adjustable model and shaping the registration guide to fit to the adjustable model. The method may further include the step of intraoperatively determining the location of a patient's bone using the custom registration guide. The step of determining the location of the patient's bone may include the steps of coupling the registration guide and fiducial markers to the patient's bone.

Presented herein are excitation modeling and matching sound coding techniques that are configured to account for a recipient's estimated or predetermined neural response so as to improve a recipient's ability to perceive sound. More specifically, the techniques presented herein correlate a modeled excitation pattern with a target excitation pattern to generate a pattern of stimulation current configured to evoke an excitation pattern within the recipient's auditory system that approximates the target excitation pattern.

A method of determining a probability that a human test subject has colorectal cancer as opposed to not having colorectal cancer is disclosed. The method comprises, for each gene of a set of one or more genes selected from the group consisting of ANXA3, CLEC4D, IL2RB, LMNB1, PRRG4, TNFAIP6 and VNN1: determining a level of RNA encoded by the gene in blood of the test subject, thereby generating test data; providing positive control data representing levels of RNA encoded by the gene in blood of human control subjects having colorectal cancer, and providing negative control data representing levels of RNA encoded by the gene in blood of human control subjects not having colorectal cancer; and determining a probability that the test data corresponds to the positive control data and not to the negative control data, where the probability that the test data corresponds to the positive control data and not to the negative control data represents the probability that the test subject has colorectal cancer as opposed to not having colorectal cancer.

The present disclosure relates to methods and apparatus for identifying metabolic pathways and metabolites in complex biological samples. In particular, the present disclosure relates to a method and apparatus to increase the confidence of metabolite identification in metabolomics, such as in untargeted metabolomics data, using various statistical tools, such as over representation and enrichment analysis.

Aspects relate to calculating energy expenditure values from an apparatus configured to be worn on an appendage of a user. Steps counts may be quantified, such as by detecting arm swings peaks and bounce peaks in motion data. A search range of acceleration frequencies related to an expected activity may be established. Frequencies of acceleration data within a search range may be analyzed to identify one or more peaks, such as a bounce peak and an arm swing peak. Novel systems and methods may determine whether to utilize the arm swing data, bounce data, and/or other data or portions of data to quantify steps. The number of peaks (and types of peaks) may be used to choose a step frequency and step magnitude. At least a portion of the motion data may be classified into an activity category based upon the quantification of steps.

Disclosed are the atomic coordinates of compositions comprising Fc heterodimer proteins in crystalline form derived from high resolution x-ray diffraction. Further disclosed are systems and methods for using all or a portion of these atomic coordinates to identify and design improved Fc heterodimer proteins. Further disclosed are compositions comprising a mixture of (i) a solubilized Fc heterodimer protein and (ii) a mother liquor solution. The mother liquor solution comprises between 2% and 10% (v/v) ethylene glycol, between 10% and 25% (w/v) polyethylene glycol having an average molecular weight of between 2000 Daltons and 10000 Daltons, and between 0.05 M and 0.40 M ammonium iodide. Further disclosed are systems and methods of identifying a mutation which promotes heterodimeric Fc chain pair formation in which structure based modeling is performed to identify a candidate mutation to an Fc chain using all or a portion of the disclosed three-dimensional atomic coordinates.

Dispersion injection methods for determining biomolecular interaction parameters in label-free biosensing systems are provided. The methods generally relate to the use of a single analyte injection that generates a smoothly-varying concentration gradient via dispersion en route to a sensing region possessing an immobilized binding partner. The present method incorporates the use of an internal standard which provides a reference as to the dispersion conditions present which can then be used to calculate an effective diffusion coefficient for the analyte of interest based on a universal calibration function. The effective diffusion coefficient can then be incorporated into the appropriate dispersion model to provide a calibrated dispersion model. The calibrated dispersion model can then be incorporated into the desired interaction model to provide a reliable representation of the analyte concentration at the sensing region at any time during the injection. The use of the internal standard and universal calibration function permit use of a wide range of injection conditions which may not otherwise be consistent with a particular dispersion model. Thus, the present methods allow for higher flow rates and lower sample volumes thereby increasing assay speed and decreasing sample consumption.

Provided are a device and method for diagnosing cardiovascular disease for providing rapid and accurate treatment and prescription for cardiovascular disease by accurately performing a diagnosis of cardiovascular disease for a particular user using the user's personal health checkup data and genome information measured periodically and the target gene of cardiovascular disease.

The present invention relates to a method of taking biopotential measurements, with the ability to perform in high-density sensing applications. The invention is a hierarchical referencing method for the electrodes in the biopotential measurement system that is able to recover potential at each location with respect to a global reference with smaller requirements on ADC resolution, and thus with lower power and area requirements as compared to current systems.