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...
2. Physicochemical Mechanisms of Protein–Ligand Interaction 为了更深入地了解蛋白质与其配体之间的分子识别,有必要理解蛋白质-配体相互作用的物理化学机制。在本节中,将介绍和/或理性化蛋白质-配体结合相关的结合动力学、与蛋白质-配体结合相关的基本热力学概念和关系,以及结合的驱动力/因素和焓-熵补偿。 2.1. Pro...
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...
Protein–Ligand Interaction:蛋白质-配体相互作用;配体,in,蛋白,相互作用,蛋白质,蛋白质配体,蛋白配体,ndash 文档格式: .pdf 文档大小: 488.76K 文档页数: 4页 顶/踩数: 0 / 0 收藏人数: 0 评论次数: 0 文档热度: 文档分类: 论文 -- 毕业论文 文档标签: 配体 in 蛋白 相互作用 蛋白质 蛋白质...
The characterization of interactions in protein–ligand complexes is essential for research in structural bioinformatics, drug discovery and biology. However, comprehensive tools are not freely available to the research community. Here, we present the protein–ligand interaction profiler (PLIP), a novel ...
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...
An Improved Weighted-Residue Profile Based Method of Using Protein-Ligand Interaction Information in Increasing Hits Selection from Virtual Screening: A St... The use of protein-ligand interaction information has been reported to improve and optimize the docking results in virtual screening experiments....
In this review, NMR techniques that are being widely employed to study protein-ligand interaction are summarized. The important parameters used to characterize the intermolecular interaction are introduced firstly, followed by descriptions of the approaches for identifying interaction regions and how to ...
Protein-ligand interaction prediction Motivation: Predicting interactions between small molecules and proteins is a crucial step to decipher many biological processes, and plays a critical role... L Jacob,JP Vert - 《Bioinformatics》 被引量: 384发表: 2008年 Protein-ligand interaction prediction: an ...
Following our successful proof-of-concept study mapping the model HEWL-NAG5protein–ligand system, we sought to apply carbene footprinting to a less well characterized, and more complex protein interaction. The deubiquitinating enzyme ubiquitin specific protease 5 (USP5), of current interest in our ...