Stereoelectronically-induced allosteric binding: shape complementarity promotes positive cooperativity in fullerene/buckybowl complexes.
Sign Up to like & getrecommendations! Published in 2022 at "Chemical communications"
DOI: 10.1039/d2cc01908f
Abstract: A novel 2 : 1 host-guest complex forms between 8-tert-butyl-6b2-azapenta-benzo[bc,ef,hi,kl,no]corannulene (1) and C60 with positive cooperativity (α = 2.56) and high affinity (K1 × K2 = 2.8 × 106 M-2) at 25 °C. The C60 undergoes increasing… read more here.
Keywords: stereoelectronically induced; positive cooperativity; shape complementarity;
Triangles on a triangular lattice: Insights into self-assembly in two dimensions driven by shape complementarity.
Sign Up to like & getrecommendations! Published in 2022 at "Physical review. E"
DOI: 10.1103/physreve.105.044104
Abstract: A series of models for reversible filling of a triangular lattice with equilateral triangles has been developed and investigated. There are eight distinct models that vary in the set of prohibitions. In zeroth approximation, these… read more here.
Keywords: triangular lattice; triangles triangular; shape complementarity; self assembly ... See more keywords
Pushing the accuracy limit of shape complementarity for protein-protein docking
Sign Up to like & getrecommendations! Published in 2019 at "BMC Bioinformatics"
DOI: 10.1186/s12859-019-3270-y
Abstract: Protein-protein docking is a valuable computational approach for investigating protein-protein interactions. Shape complementarity is the most basic component of a scoring function and plays an important role in protein-protein docking. Despite significant progresses, shape representation… read more here.
Keywords: protein; shape complementarity; protein docking; protein protein ... See more keywords