Analysis of protein-protein interactions for intermolecular bond prediction
Protein-protein interactions often involve a complex system of intermolecular interactions
between residues and atoms at the binding site. A comprehensive exploration of these …
between residues and atoms at the binding site. A comprehensive exploration of these …
HBcompare: Classifying Ligand Binding Preferences with Hydrogen Bond Topology
This paper presents HBcompare, a method that classifies protein structures according to
ligand binding preference categories by analyzing hydrogen bond topology. HBcompare …
ligand binding preference categories by analyzing hydrogen bond topology. HBcompare …
DeepVASP-S: a deep-learning tool for explaining steric mechanism that controls binding specificity
DeepVASP-S is a computational tool that leverages the capabilities of convolutional neural
networks (CNNs) to analyze steric aspects of protein-ligand interactions and predict amino …
networks (CNNs) to analyze steric aspects of protein-ligand interactions and predict amino …
[PDF][PDF] HBcompare: Classifying Ligand Binding Preferences with Hydrogen Bond Topology. Biomolecules 2022, 12, 1589
This paper presents HBcompare, a method that classifies protein structures according to
ligand binding preference categories by analyzing hydrogen bond topology. HBcompare …
ligand binding preference categories by analyzing hydrogen bond topology. HBcompare …