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Briefings in bioinformatics
Nov 22, 2023
The enzyme turnover rate, ${k}_{cat}$, quantifies enzyme kinetics by indicating the maximum efficiency of enzyme catalysis. Despite its importance, ${k}_{cat}$ values remain scarce in databases for most organisms, primarily because of the cost of exp...
Optics express
Nov 6, 2023
A fiber Bragg grating (FBG) based three-dimensional (3D) force sensor for a humanoid prosthetic hand is designed, which can precisely detect 3D force and compensate for ambient temperature. FBG was encapsulated in polydimethylsiloxane (PDMS) for forc...
Water science and technology : a journal of the International Association on Water Pollution Research
Aug 1, 2023
Precipitation is one of the driving forces in water cycles, and it is vital for understanding the water cycle, such as surface runoff, soil moisture, and evapotranspiration. However, missing precipitation data at the observatory becomes an obstacle t...
The Journal of chemical physics
Jun 28, 2023
This work studies the exhaustive rovibrational state-specific collision-induced dissociation properties of the N2+N system by QCT (quasi-classical trajectory) combined with a neural network method based on the ab initio PES recently published by Varg...
Physical review letters
Jun 9, 2023
We introduce GlassMLP, a machine learning framework using physics-inspired structural input to predict the long-time dynamics in deeply supercooled liquids. We apply this deep neural network to atomistic models in 2D and 3D. Its performance is better...
Journal of chromatographic science
May 30, 2023
The stability of biopharmaceutical therapeutics over the storage period/shelf life has been a challenging concern for manufacturers. A noble strategy for mapping best and suitable storage conditions for recombinant human serum albumin (rHSA) in labor...
Briefings in bioinformatics
May 19, 2023
The design of enzyme catalytic stability is of great significance in medicine and industry. However, traditional methods are time-consuming and costly. Hence, a growing number of complementary computational tools have been developed, e.g. ESMFold, Al...
Science progress
Jan 1, 2023
It is easy to cause thermal damage to the bone tissue when the surgical robot performs skull drilling to remove bone flaps, due to the large diameter of the drill bit, the large heat-generating area, and the long drilling time. Therefore, in order to...
The Journal of chemical physics
Nov 28, 2022
Cluster expansion (CE) provides a general framework for first-principles-based theoretical modeling of multicomponent materials with configurational disorder, which has achieved remarkable success in the theoretical study of a variety of material pro...
The Journal of chemical physics
Sep 14, 2022
We propose a scheme for ab initio configurational sampling in multicomponent crystalline solids using Behler-Parinello type neural network potentials (NNPs) in an unconventional way: the NNPs are trained to predict the energies of relaxed structures ...