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the tables related to network pharmacology analysis and molecuar docking
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2024-05-27
相关数据集
Exploring the binding capacity of lactic acid bacteria derived bacteriocins against RBD of SARS-CoV-2 Omicron variant by molecular simulations
The changes in the SARS-CoV-2 genome have resulted in the emergence of new variants. Some of the variants have been classified as variants of concern (VOC). These strains have higher transmission rate
Taylor & Francis Group2023-11-09 更新60
Comparison of binding properties of vinblastine obtained from molecular docking using Autodock and experiments.
Comparison of binding properties of vinblastine obtained from molecular docking using Autodock and experiments.
Figshare2013-10-04 更新10
Docking of native peptide (CRIPT) to bound structures and the best clustered one obtained from PRS.
aRMSD values between the top scoring pose in Ångstroms measured over all heavy atoms of the peptide and the peptide's position in the crystal structure.
NIAID Data Ecosystem10
Docking scores and energy minimization of target proteins.
Molecular docking using models of receptor (protein) and ligand (Testosterone) was carried out using Schrodinger Glide Maestro, USA software. GPCR 205 displayed highest docking score of -8.3Kcal/mol.
Figshare2020-09-03 更新30
Hydrogen Bonding Penalty upon Ligand Binding
Ligand binding involves breakage of hydrogen bonds with water molecules and formation of new hydrogen bonds between protein and ligand. In this work, the change of hydrogen bonding energy in the bindi
Figshare2016-01-18 更新10
