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Full code and resource for Digichem Project
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创建时间：
2025-08-20
相关数据集
Methylation_b-CD_DFT_Supplementary_Dataset.zip
Supplementary dataset in support of the manuscript "Influence of beta-Cyclodextrin Methylation on Host-Guest Complex Stability: A Theoretical Study of Intra- and Intermolecular Interactions as well as
figshare.com2023-02-04 更新20
Substance 865372: MLS000083556
Chemical substance data from PubChem database. This dataset contains comprehensive chemical information including structural data, physical properties, and biological...
data.gov10
Supplementary Information 5: Molecular Modelling of sSgII-70
Molecular models in silico were developed using Molecular Modelling Pro Plus, version 6.22, and ChemSite, version 5.10, produced by ChemSW (Accelrys Inc., San Diego, USA).
NIAID Data Ecosystem00
coordinates_for_supmat.zip
Supplementary Material for "Thioamide substitution to probe the hydroxyproline recognition of VHL ligand" Coordinates of (DFT) PBF (water) MN15-L/aug-cc-pVTZ(-F) optimized geometries in xyz for
Figshare2018-02-14 更新10
Compound 528411: 5-Methyloxazole
Chemical compound data from PubChem database. IUPAC Name: 5-methyl-1,3-oxazole. Molecular Formula: C4H5NO. Molecular Weight: 83.09. This dataset contains...
data.gov10
