6 results about "Molecular surfaces" patented technology

Embodiments of the present disclosure relate to a method for molecular docking and an electronic device. The method comprises: determining a first binding site on a first molecular surface of a first molecule and a second binding site on a second molecular surface of a second molecule based on a first time-dependent multi-scale feature of the first molecule and a second time-dependent multi-scale feature of the second molecule; obtaining a first chemical feature of the first binding site and a second chemical feature of the second binding site; determining a functional mapping matrix between the first chemical feature and the second chemical feature through functional mapping; determining a correspondence between the first binding site and the second binding site based on the functional mapping matrix; and docking the first molecule and the second molecule through the first binding site and the second binding site based on the correspondence. In this way, the molecular docking scheme does not need to be implemented through a large number of samplings, and therefore the three-dimensional structure generated after docking can be determined more quickly and more efficiently.

This information processing device comprises: a calculating means that calculates the molecular surface area and the molecular volume of a compound to be predicted, the molecular structure of which is in an energetically stable state; a predicting means that uses a regression model representing a correlation of the molecular surface area and the molecular volume with the dielectric loss tangent to predict the dielectric loss tangent of the compound to be predicted; and an outputting means that outputs the predicted dielectric loss tangent.

The invention relates to the technical field of biology, in particular to an oil phase composition for microfluidics as well as a preparation method and a use method of the oil phase composition. Comprising FOTS, a fluorine-containing surfactant and fluorinated oil, the volume concentration of the FOTS in the composition is 5 to 70 percent. According to the invention, the FOTS is directly added into the oil phase, and dynamic hydrophobic modification of the surface of the chip is realized by utilizing the characteristic that the FOTS spontaneously migrates and is adsorbed on the surface of a chip channel in a microfluid flowing process. The FOTS can be used as a wall surface modifier and a small molecule surfactant at the same time, wall surface hydrophobic modification is achieved, and meanwhile the microdroplet generation efficiency is improved; meanwhile, the macromolecular surfactant and the micromolecular surfactant act together to stabilize an oil-water interface, so as to form smaller and more stable microdroplets.

The invention discloses a perovskite thin film photoelectric detector based on a molecular surface treatment strategy, and relates to the technical field of semiconductor thin film materials and photoelectric detectors thereof. According to the perovskite thin film photoelectric detector based on the molecular surface treatment strategy, the performance of the photoelectric detector is optimized through combination of the molecular surface treatment strategy and a quasi-two-dimensional DJ type perovskite material, and the perovskite thin film photoelectric detector has the advantage of high sensitivity, still has stable response in a weak light environment, is high in response speed, can adapt to a high-frequency optical signal scene and can resist influences of illumination, high temperature and humidity; the material has the advantages of low cost, low performance attenuation after long-term storage and repeated bending, good stability, adaptation to a complex use environment, no need of a special environment in the preparation process, reduction of the production threshold, flexibility and self-driving characteristics, and can be expanded to the fields of wearable equipment and weak light sensing. The problem that performance and stability of an existing perovskite detector are difficult to consider at the same time is effectively solved, and a foundation is laid for practicability of flexible photoelectric devices.

The invention discloses a preparation method of nano-sized hydrogen bond organic framework immobilized carbonic anhydrase particles, which comprises the following steps: when a carbonic anhydrase (CA) solution and an HOF monomer (1, 3, 6, 8-tetra (4-carboxybenzene) pyrene) solution are blended, mixing an organic phase and a water phase under stirring so that monomers surround CA to form condensation nucleuses, and inducing the monomers to self-assemble into the nano-sized immobilized enzyme particles. The hydrogen bond organic framework immobilized enzymes with different sizes and structures are prepared by regulating and controlling the ligand concentration, the enzyme concentration and the dripping speed. HOF in-situ nucleation and growth are induced on the surface of an enzyme molecule to form a confinement space protection layer, so that the enzyme has more excellent heat resistance, acid and alkali resistance and operation stability; due to the high porosity, the structure adjustability and the excellent mass transfer performance of the HOF, the performance of CA in the aspects of catalysis, separation and cyclic utilization is enhanced, and particularly the stability under extreme pH and temperature changes is enhanced. The method is simple and feasible in process, mild in condition and suitable for construction of a series of hydrogen bond organic framework immobilized enzymes.

The application discloses a kind of composition and its preparation method and application, the composition includes the following volume fraction components: pure water 45%-60%, tetramethylammonium hydroxide 10%-40%, aqueous polyimide 2%-5%, terephthalic acid 1%-2%, ethylene glycol 1%-3%, aqueous glycol resin 0.5%-2%, aqueous functional additive 0.5%-2%, nano directional dispersant 0.1%-1.0%.The application implants spinal column (composition) on the surface of PET or PI material, changes the valence bond of raw material, reduces the molecular surface repulsive force, and the load weight is increased by 2-3 times compared with the original. In addition, the spinal column has the characteristics of conjugate double-track high temperature resistance, effectively and quickly provides electron migration; the higher the temperature, the lower the resistance, the longer the temperature time, and the lower the resistance.