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2 results about "Affinity label" patented technology

Affinity labels are a class of enzyme inhibitors that covalently bind to their target causing its inactivation. The hallmark of an affinity label is the use a targeting moiety to specifically and reversibly deliver a weakly reactive group to the enzyme that irreversibly binds to an amino acid residue. The targeting portion of the label often resembles the enzyme's natural substrate so that a similar mode of noncovalent binding is used prior to the covalent linkage. Their usefulness in medicine can be limited by the specificity of the first noncovalent binding step whereas indiscriminate action can be utilized for purposes such as affinity labeling - a technique for the validation of substrate-specific binding of compounds.

Small sample medicine virtual screening method and system based on interaction information guidance

The invention relates to the technical field of computer-aided drug design, and discloses a small sample drug virtual screening method and system based on interaction information guidance. According to the method, a prompt adaptation mechanism based on atomic-scale interaction information is introduced into a small sample medicine virtual screening task for the first time, so that the model can realize target-specific dynamic structure adaptation under the condition of a very small number of samples, and the generalization performance on a new target is remarkably improved; according to the method disclosed by the invention, the understanding capability of the model on the structure rule of the combined interface is enhanced by constructing the fine-grained interaction characteristics between the protein pockets and the small molecules, and the performance fluctuation caused by the structure difference between different target spots is weakened; the method does not need to depend on docking conformations or a large number of affinity tags, the dependence on experimental data and computing resources is reduced, and the availability of the method in a data scarce scene is improved; the method is suitable for structure-driven drug design and various virtual screening tasks, and has a good practical application prospect.
Owner:FUDAN UNIVERSITY

Computing power network scheduling method, device, system, equipment and medium

The application provides a computing power network scheduling method, device, system, equipment and medium, and relates to the field of computing power network scheduling, which comprises the following steps: inputting a preset training task to a computing power center node to generate a model training task; receiving a model training result and selecting a target edge-end computing power node to construct an aggregated model; determining an affinity label value according to a model contribution degree, a successful rate of reporting a training task completion quantity and a successful rate of a time length spent in reporting a model training result; issuing all affinity label values to each edge-end computing power node to update the affinity label values; the model training result is determined according to the processing of the models related to each edge-end computing power node; and the model contribution degree is determined according to the model training result of each edge-end computing power node and the aggregated model. The application can improve the robustness of the model under the conditions of network congestion and unstable edge-end computing power nodes, and realize the overall optimization of application efficiency, model accuracy, network performance and energy consumption.
Owner:INSPUR TIANYUAN COMM INFORMATION SYST CO LTD