Molecular geometry
The geometrical optimization of the PD-L1-1-In-1 structure is performed using the Gaussian 09W. The optimized geometry configuration of the title molecule is presented in Fig. 1 with labeled atoms and their respective symbols.
Category: 4. Physics
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A pre-trained deep potential model for sulfide solid electrolytes with broad coverage and high accuracy
Model overview
Figure1 provides a graphical representation of the training sets for the DPA-SSE model, as well as an overview of the model workflow. The training sets include three major types of sulfides electrolytes, namely, the LGPS-like…
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Structural and optical properties of SnO nano-filler in eco-friendly PVA polymer for flexible optoelectronic applications
Structure properties of PVA/SnO films
Figure 1 shows the XRD for pure PVA film, SnO powder and PVA doped with different concentrations of SnO (2, 3, 4 and 5%). The data imply that for pure PVA a broad peak centered at 2θ = 19.64º is observed…
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Micron scale binary periodic phase plate for increased depth of focusing based on a non local analysis and design
In this section, BPPPs are designed for various purposes. One purpose is single focusing for periods in the lower and higher ranges at a large depth of over \(750 \times 10^3 \lambda _o\), i.e., 1m at a wavelength of \(1.33\mu m\), while keeping…
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Boundary-sensing mechanism in branched microtubule networks
Miyazaki, M., Chiba, M., Eguchi, H., Ohki, T. & Ishiwata, S. Cell-sized spherical confinement induces the spontaneous formation of contractile actomyosin rings in vitro. Nat. Cell Biol. 17, 480–489 (2015).
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Universal logical quantum photonic neural network processor via cavity-assisted interactions
The neural network architecture
Quantum photonic neural networks have emerged as a promising platform for optical quantum computation. Theoretical proposals have shown that these architectures are excellent at gate synthesis, black-box quantum…
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Studies of magnetic properties of EuSnP single crystals
Single crystal characterization
Example single crystals after surface cleaning are shown in Fig. 1a. They are of a black plate-like shape with surface dimensions of up to several millimeters and thickness of about 0.1 millimeter. A SEM image of…
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Accelerating density of states prediction in Zn-doped MgO nanoparticles via kernel-optimized weighted k-NN
DFTB calculations
The DFTB calculations were performed using the DFTB+ software package29, employing the third-order parametrization (DFTB3). DFTB is an efficient and parameterized approximation to DFT, retaining essential quantum mechanical…
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A fluorescent-protein spin qubit | Nature
Protein expression and purification
In Figs. 1–4 and 5d, we measured EYFP with the mutations S2insL/S65G/V68L/S72A/T203Y/H231L of avGFP, with an additional 6x His tag on the N-terminus (the full amino acid sequence is given at the end of this…
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Direct observation of two-channel photodissociation of carbon monoxide from the hemoglobin subunits
Perutz, M. F. Stereochemistry of cooperative effects in haemoglobin. Nature 228, 726–739 (1970).
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Jones, C. M. et al. Fast events in protein folding initiated…
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