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Potency Prediction of Covalent Inhibitors against SARS-CoV-2 3CL-like Protease and Multiple Mutants by Multiscale Simulations
期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2024, 卷号: 64, 期号: 24
作者:
Muya Xiong
;
Tianqing Nie
;
Zhewen Li
;
Meiyi Hu
;
Haixia Su
Adobe PDF(7488Kb)
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浏览/下载:257/5
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提交时间:2024/12/02
Binding energy
Molecular docking
Structural dynamics
Coronaviruses
Covalent reaction
Dynamics simulation
Expert knowledge
Hybrid QM/MM
Inhibition mechanisms
Multi-scale simulation
Pathogenics
Reaction mechanism
Structure based drug designs
Fractional Chern insulator states in multilayer graphene moiré superlattices
期刊论文
PHYSICAL REVIEW B, 2024, 卷号: 110, 期号: 7
作者:
Guo, Zhongqing
;
Lu, Xin
;
Xie, Bo
;
Liu, Jianpeng
Adobe PDF(1419Kb)
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浏览/下载:275/5
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提交时间:2024/08/23
Continuum mechanics
Graphene
Ground state
Hartree approximation
Molecular physics
Multilayers
Statistical mechanics
Continuum model
Displacement field
Energy model
Energy scale
Flat band
Hartree-Fock approximations
Lower energies
Multilayer graphene
Renormalization group approach
Tunables
Strain distribution in the active region of InAs-based interband cascade laser
期刊论文
JOURNAL OF APPLIED PHYSICS, 2024, 卷号: 135, 期号: 24
作者:
Wu, Jian-Chu
;
Liu, Ruo-Tao
Adobe PDF(3538Kb)
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浏览/下载:199/1
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提交时间:2024/07/15
Energy dispersive spectroscopy
III-V semiconductors
Interface states
Strain
Transmission electron microscopy
Active regions
Atomic scale
Energy dispersive X ray spectroscopy
Energy dispersive x-ray spectroscopy
High-angle annular dark fields
Interband cascade laser
Scanning transmission electron microscopes
Strain distributions
Strain-compensated
Time energy
Quantitative analysis of element substitution in mixed-vanadate LuxGd1-xVO4 single crystals at the atomic scale
期刊论文
CERAMICS INTERNATIONAL, 2024, 卷号: 50, 期号: 13, 页码: 24888-24893
作者:
Wang, Yueran
;
Zhang, Enci
;
Chen, Yang
;
Ji, Nianjing
;
Jiang, Yilan
Adobe PDF(4962Kb)
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浏览/下载:293/2
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提交时间:2024/05/11
Chemical stability
Crystal atomic structure
Crystal orientation
Dissociation
Electron energy levels
Electron scattering
Electronic structure
Energy dispersive spectroscopy
Energy dissipation
Gadolinium
Gadolinium compounds
Rare earths
Semiconductor doping
Single crystals
Spectrum analysis
Thermal conductivity
Atomic levels
Atomic scale
Atomic-level doping in crystalline material
Electron energy-loss spectroscopies
Electron energy-loss spectroscopy
Energy dispersive X ray spectroscopy
Energy-dispersive X-ray spectroscopy (EDS)
High-angle annular dark field
High-angle annular dark fields
Mixed crystals
Wafer-Scale Epitaxial Growth of the Thickness-Controllable Van Der Waals Ferromagnet CrTe2 for Reliable Magnetic Memory Applications
期刊论文
ADVANCED FUNCTIONAL MATERIALS, 2023, 卷号: 33, 期号: 50
作者:
Liu, Xinqi
;
Huang, Puyang
;
Xia, Yunyouyou
;
Gao, Lei
;
Liao, Liyang
Adobe PDF(1145Kb)
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浏览/下载:893/276
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提交时间:2023/09/22
Alumina
Aluminum oxide
Energy efficiency
Epitaxial growth
Ferromagnetic materials
Ferromagnetism
Magnetization
Sapphire
Structural optimization
Surface morphology
Van der Waals forces
2d ferromagnet
Ferromagnets
Interface engineering
Magnetic memory
Spin orbits
Spin-orbit torque switch
Van der Waal
Van der waal heterostructure
Wafer scale
Wafer-scale epitaxial growth
Sim-to-Real Transfer for Quadrupedal Locomotion via Terrain Transformer
会议论文
PROCEEDINGS - IEEE INTERNATIONAL CONFERENCE ON ROBOTICS AND AUTOMATION, London, United kingdom, May 29, 2023 - June 2, 2023
作者:
Adobe PDF(4623Kb)
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浏览/下载:476/115
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提交时间:2023/09/08
Deep learning
Energy utilization
Intelligent robots
Modeling languages
Natural language processing systems
Reinforcement learning
Complex environments
Large-scale sequences
Legged locomotion
Modeling task
Natural languages
Neural-networks
Physical simulation
Real-world
Reinforcement learnings
Sequence models
Hybrid Dirac semimetal-based photodetector with efficient low-energy photon harvesting
期刊论文
LIGHT: SCIENCE AND APPLICATIONS, 2022, 卷号: 11, 期号: 1
作者:
Wang, Lin
;
Han, Li
;
Guo, Wanlong
;
Zhang, Libo
;
Yao, Chenyu
Adobe PDF(1677Kb)
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浏览/下载:1242/363
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提交时间:2022/03/25
Antennas
Light absorption
Medical imaging
Photodetectors
Photons
Plasmonics
Platinum compounds
Remote sensing
Topology
Van der Waals forces
Active area
Electrical signal
Electromagnetic spectra
Low energy photons
Nano scale
Optoelectronics property
Photo detection
Photon energy range
Plasmonics
Van der Waal
A Block PatchMatch-Based Energy-Resource Efficient Stereo Matching Processor on FPGA
期刊论文
IEEE TRANSACTIONS ON CIRCUITS AND SYSTEMS I: REGULAR PAPERS, 2022, 卷号: PP, 期号: 99
作者:
Hongyu Wang
;
Wei Zhou
;
Xiangyu Zhang
;
Xin Lou
Adobe PDF(4940Kb)
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收藏
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浏览/下载:272/0
|
提交时间:2022/04/12
Stereo matching
PatchMatch
multi-scale propagation (MSP)
energy-resource efficient
field programmable gate array (FPGA).
Molecular docking-based computational platform for high-throughput virtual screening
期刊论文
CCF TRANSACTIONS ON HIGH PERFORMANCE COMPUTING, 2022, 卷号: 4, 期号: 1, 页码: 63-74
作者:
Zhang, Baohua
;
Li, Hui
;
Yu, Kunqian
;
Jin, Zhong
Adobe PDF(969Kb)
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收藏
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浏览/下载:808/326
|
提交时间:2022/10/14
Binding energy
Molecular modeling
Visualization
Web services
Websites
Active compounds
Computational platforms
Computer aided drug design
High-throughput
Large-scale computing
Molecular docking
Structure-based
Supercomputing
Ultra-large-scale computing
Virtual Screening
Edge Artificial Intelligence for 6G: Vision, Enabling Technologies, and Applications
期刊论文
IEEE JOURNAL ON SELECTED AREAS IN COMMUNICATIONS, 2022, 卷号: 40, 期号: 1
作者:
Letaief, Khaled B.
;
Shi, Yuanming
;
Lu, Jianmin
;
Lu, Jianhua
Adobe PDF(25205Kb)
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|
浏览/下载:758/135
|
提交时间:2021/12/17
5G mobile communication systems
Application programs
Computer architecture
Data Analytics
Deep learning
Energy utilization
Job analysis
Network architecture
Quality of service
Wireless networks
6g
6g mobile communication
Communication system security
Edge artificial intelligence
Edge inference
Edge training
End to end
End-to-end architecture
Federated learning
Large-scale optimization
Mobile communications
Over the airs
Over-the-air computation
Resources allocation
Service-driven resource allocation
Task analysis
Task-oriented
Task-oriented communication
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