Comprehensive analysis of α 2-3-linked sialic acid specific Maackia amurensis leukagglutinin reveals differentially occupied N-glycans and C-terminal processing.
Sign Up to like & getrecommendations! Published in 2017 at "International journal of biological macromolecules"
DOI: 10.1016/j.ijbiomac.2016.10.007
Abstract: Seeds of Maackia amurensis constitutes two sialic acid specific agglutinins known as leukagglutinin and hemagglutinin. Maackia amurensis leukagglutinin (MAL) recognizes α2-3-linked sialic acid present mainly in N-glycans and composed of two disulfide linked monomers. It… read more here.
Keywords: amurensis leukagglutinin; acid specific; linked sialic; sialic acid ... See more keywords
AA-Score: a New Scoring Function Based on Amino Acid-Specific Interaction for Molecular Docking.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.1c01537
Abstract: The protein-ligand scoring function plays an important role in computer-aided drug discovery and is heavily used in virtual screening and lead optimization. In this study, we developed a new empirical protein-ligand scoring function with amino… read more here.
Keywords: interaction; scoring function; amino acid; function ... See more keywords
ff19SB: Amino-acid specific protein backbone parameters trained against quantum mechanics energy surfaces in solution.
Sign Up to like & getrecommendations! Published in 2019 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.9b00591
Abstract: Molecular dynamics (MD) simulations have become increasingly popular in studying the motions and functions of biomolecules. The accuracy of the simulation, however, is highly determined by the molecular mechanics (MM) force field (FF), a set… read more here.
Keywords: protein; amino acid; ff19sb; backbone ... See more keywords