Comparison of protein–protein interaction interface properties. (A) The overlap among interface properties that were showing statistically significant (p ≤ 0.01) differences between the native and non-native like complexes, categorized either by FNAT and iRMSD criteria. HETERO_FNAT and HETERO_i...
1) protein-protein interface 蛋白-蛋白相互作用界面2) Protein-protein interaction 蛋白质-蛋白质相互作用 1. Research progress in protein-protein interactions and their inhibitors; 蛋白质-蛋白质相互作用及其抑制剂研究进展 2. Elucidation of liver protein-protein interaction patterns will provide an ...
With SuFEx in vitro selection, we identified covalent inhibitors that cross-link distinct residues of the SARS-CoV-2 spike protein at its protein–protein interaction interface with the human angiotensin-converting enzyme 2. A separate suite of covalent inhibitors was isolated for the human complement...
InterPare is an open and public database server for protein interaction interface information. It contains the large-scale interface data for proteins whose 3D-structures are known. As of November 2004, there were 10,583 (Geometric distance), 10,431 (ASA), and 11,010 (Voronoi diagram) entrie...
The PPI interface-based molecular generative model enriches the existing landscape of structure-based (pocket/interface) molecular generative model.#This study introduces GENiPPI, a protein-protein interaction (PPI) interface-aware molecular generative framework. The framework first employs Graph Attention ...
Although deep learning (DL) models for Protein–Protein Interaction (PPI) prediction have been studied extensively, it has not yet been developed for simulating the natural PPI hierarchy. Here, we suggest HIGH-PPI, a hierarchical graph neural network, for accurate and interpretable PPI prediction. ...
chain of the protein oligomer) and interface hubs (defined as amino acid residues interacting with five or more residues with at least one residue belonging to a different chain than itself) have been presented. (2) The strength of interface interaction, as measured from the clusters and hubs ...
interfacefortheRcomputingenvironmentandim- provedstatisticalanalysisforenrichmenttestsin user-providednetworks. INTRODUCTION Foraulldescriptionoaprotein’sunction,knowledge aboutitsspecifcinteractionpartnersisanimportantpre- requisite.Theconceptoprotein‘unction’issomewhathi- ...
* the strongest cooperativity found in proteins[80] 2.9 Quantification of Non-covalent forces * bla boa can be made to deliver information about single interaction mechanisms under better-defined conditions. 2.9.2 Hydrogen bonds 2.9.3 Weak hydrogen bonds: the use of intramolecular 'balances" 2.9....
Classification and prediction of protein–protein interaction interface using machine learning algorithm. Sci. Rep. 11, 1761 (2021). Zilian, D. & Sotriffer, C. A. SFCscore(RF): a random forest-based scoring function for improved affinity prediction of protein–ligand complexes. J. Chem. Inf...