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资源简介:
1generation 1 hit list, 2generation 2 hit list.
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创建时间:
2011-09-22
相关数据集
Data for: Advances and critical assessment of machine learning techniques for prediction of docking scores
Semi-flexible docking was performed using AutoDock Vina 1.2.2 software on the SARS-CoV-2 main protease Mpro (PDB ID: 6WQF). Two data sets are provided in the xyz format containing the AutoDock Vina
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Discovering Potent and Diverse Agonists for the β 2 ‑Adrenergic Receptor via Machine Learning
Screening diverse chemical structure compounds is an essential task in modern drug discovery. It provides different opportunities to avoid patent invasion, avoid potential toxicity observed in similar
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Data_Sheet_1_RASPD+: Fast Protein-Ligand Binding Free Energy Prediction Using Simplified Physicochemical Features.PDF
The virtual screening of large numbers of compounds against target protein binding sites has become an integral component of drug discovery workflows. This screening is often done by computationally d
NIAID Data Ecosystem20
HSP90 inhibitors and drugs from fragment and virtual screening
HSP90 inhibitors and drugs from fragment and virtual screening Descriptor: 9-ETHYL-9H-PURIN-6-YLAMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA, SULFATE ION Authors: Roughley, S.D, Hubbard, R.E, Baker, L.M. De
Protein Data Bank Japan2023-12-20 更新40
Unravelling the phytome of Plumbago zeylanica through transcriptomics approach
The present study has been proposed to carry out RNA sequencing from the leaf and root extract of P. zeylanica to bring out the whole transcriptome profile through de novo transcriptomics approach, wh
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