导入复合物 复制表格 下载口袋,下载图片 2D相互作用: Protein-Ligand Interaction Profiler https://proteins.plus/ posview查看相互作用 点击ligiand 其他功能:预测活性口袋的位点 DoGSiteScorer Binding site detection 后期pymol的处理: 鼠标中键可以切换为selecting residues 重命名残基rename selection> label<residues...
Adasme,M. et al. PLIP 2021: expanding the scope of the protein-ligand interaction profiler to DNA and RNA. Nucl. Acids Res. (05 May 2021), gkab294. doi: 10.1093/nar/gkab294 or Salentin,S. et al. PLIP: fully automated protein-ligand interaction profiler. Nucl. Acids Res. (1 July...
49, Web Server issue Published online 5 May 2021https://doi.org/10.1093/nar/gkab294PLIP 2021: expanding the scope of the protein–ligandinteraction prof i ler to DNA and RNAMelissa F. Adasme 1,† , Katja L. Linnemann 1,† , Sarah Naomi Bolz 1,† , Florian Kaiser 2 ,Sebastian...
PLIP, the protein–ligand interaction profiler, detects and visualises these interactions and provides data in formats suitable for further processing. PLIP has proven very successful in applications ranging from the characterisation of docking experiments to the assessment of novel ligand–protein complexes...
detection and neutralization efforts10. In Fig.4, a protein–ligand interaction profiler76illustrates the interactions between the redesigned protein pockets and ligands, comparing these predicted interactions with the original binding patterns. Fig. 4: Using PocketGen to design protein pockets for binding...
Subsequently, using the Protein Ligand Interaction Profiler web platform (PLIP), we determined whether 1,2,3-triazoles primarily act as linkers or if they... R Carlucci,MN Lisa,GR Labadie - 《Journal of Medicinal Chemistry》 被引量: 0发表: 2023年 Synthesis, characterization, chemical and biolo...
We utilized Moira to analyze 400 MD simulations in terms of their geometric features (root mean square deviation and protein–ligand interaction profiler) and energetics (molecular mechanics Poisson–Boltzmann surface area) for these trajectories. Finally, we demonstrate the performance of different ...
1. PLIP: fully automated protein–ligand interaction profiler [J] . Melissa F. Adasme, Michael Schroeder, Sebastian Salentin, Nucleic acids research . 2015,第W1期 机译:PLIP:全自动蛋白质-配体相互作用分析仪 2. Gypsy moth pheromone-binding protein-ligand interactions: pH profiles and simulation...
In drug discovery, determining the binding affinity and functional effects of small-molecule ligands on proteins is critical. Current computational methods can predict these protein–ligand interaction properties but often lose accuracy without high-reso
F. et al. PLIP 2021: expanding the scope of the protein–ligand interaction profiler to DNA and RNA. Nucleic Acids Res. 49, W530–W534 (2021). Article CAS PubMed PubMed Central Google Scholar Download references Acknowledgements This work was supported by the MRC (MR/M009920/1, MR/R...