Lv4
740 积分 2024-03-22 加入
Accelerating Global Search of Large-Sized Silver Clusters Using Cluster Graph Attention Network
2小时前
待确认
Low-Frequency Vibrational Spectra of 4-Fluorophenol Studied by THz Spectroscopy and Solid-State Density Functional Theory
2小时前
待确认
A first-principles exploration of the conformational space of sodiated pyranose assisted by neural network potentials
1个月前
已完结
The Jarzynski binding free energy can effectively rank ligand-protein affinities in inadequate samplings
2个月前
已完结
Searching low-energy conformers of neutral and protonated di-, tri-, and tetra-glycine with first-principle accuracy assisted by the use of neural network potentials
2个月前
已完结
A computational study to assess the pathogenicity of single or combinations of missense variants on respiratory complex I
2个月前
已完结
A theoretical study of the oxidation of benzene by manganese oxide clusters: formation of quinone intermediates
5个月前
已完结
Computational Modeling of Drugs Against Alzheimer’s Disease
6个月前
已完结
Structure‐Based Approaches for the Prediction of Alzheimer's Disease Inhibitors: Comparative Interactions Analysis, Pharmacophore Modeling and Molecular Dynamics Simulations
8个月前
已完结
皖公网安备34019202002308
