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24 积分 2024-04-20 加入
Investigation of The Potential Inhibitor Effects Of Lycorine On Sars-Cov-2 Main Protease (Mpro) Using Molecular Dynamics Simulations and MMPBSA
11小时前
求助中
Ground‐State Orbital Descriptors for Accelerated Development of Organic Room‐Temperature Phosphorescent Materials
2天前
已完结
Identification of host–guest systems in green TADF-based OLEDs with energy level matching based on a machine-learning study
3天前
已完结
Design of Thermally Activated Delayed Fluorescence Materials with High Intersystem Crossing Efficiencies by Machine Learning-Assisted Virtual Screening
3天前
已完结
Machine learning-enabled discovery of multi-resonance TADF molecules: Unraveling PLQY predictions from molecular structures
3天前
已完结
Reliable prediction of the singlet-triplet gap in TADF molecules with GW/BSE approach
3天前
已完结
Effect of molecular representation on deep learning performance for prediction of molecular electronic properties
10天前
已完结
Fabrication of Circularly Polarized MR‐TADF Emitters with Asymmetrical Peripheral‐Lock Enhancing Helical B/N‐Doped Nanographenes
19天前
已完结
Multi-resonance thermally activated delayed fluorescence molecules with intramolecular-lock: theoretical design and performance prediction
29天前
已完结
Exploring the interaction mechanism between potential inhibitor and multi-target Mur enzymes of mycobacterium tuberculosis using molecular docking, molecular dynamics simulation, principal component analysis, free energy landscape, dynamic cross-correlation matrices, vector movements, and binding free energy calculation
1个月前
已完结
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