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资源简介：
Dataset to evaluate algorithms for binding site matching
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创建时间：
2017-06-26
相关数据集
The Result of Molecular Docking
The data upload in this repository is the data get from the in silico experiment
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Additional file 1 of Novel mutations in NSP-1 and PLPro of SARS-CoV-2 NIB-1 genome mount for effective therapeutics
Additional file 1: Supplementary File 1. Parameters for Molecular Docking. The number of Points in Dimension, Spacing (Angstrom) and Center Grid Box values that were taken during the molecular docking
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Norfloxacin derivatives as DNA gyrase and urease inhibitors: synthesis, biological evaluation and molecular docking
Table S1. Antibacterial activity of compounds 3a-j with MIC against Bacillus pumilus , Staphylococcus aureus , Pseudomonas aeruginosa , and Escherichia
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The model oligosaccharide interaction energy and binding affinity with MBL- AJ .
*- The molecular mechanics generalized Born interaction energy is the non-bonded interaction energy between the receptor and the ligand and comprises van der Waals, Coulomb and generalized Born implic
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Additional file 5: Table S3. of Identification of internalin-A-like virulent proteins in Leishmania donovani
Docking results for L. donovani Inl-A-like proteins with human E-cadherin (hEC1). (XLS 24 kb)
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