Predicting binding events in very flexible, allosteric, multi-domain proteins
Andrea Basciu,
Mohd Athar,
Han Kurt
et al.
Abstract:Knowledge of the structures formed by proteins and small ligands is of fundamental importance for understanding molecular principles of chemotherapy and for designing new and more effective drugs. Due to the still high costs and to the several limitations of experimental techniques, it is most often desirable to predict these ligand-protein complexesin silico, particularly when screening for new putative drugs from databases of millions of compounds. While virtual screening based on molecular docking is widely… Show more
Set email alert for when this publication receives citations?
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.