Hemoglobin (Hb) is the prototype of an allosteric protein. Still, its molecular allosteric mechanism is not fully understood. To elucidate the mechanism of cooperativity on an atomistic level, we developed a novel computational technique to analyse the coupling of tertiary and quaternary motions. From Molecular Dynamics (MD) simulations showing spontaneous quaternary transitions, we separated t...

Historical patterns of diversity, biogeography and faunal turnover remain poorly understood for Wallacea, the biologically and geologically complex island region between the Asian and Australian continental shelves. A distinctive Quaternary vertebrate fauna containing the small-bodied hominin Homo floresiensis, pygmy Stegodon proboscideans, varanids and giant murids has been described from Flor...

Monod, Wyman, and Changeux (MWC) explained allostery in multisubunit proteins with a widely applied theoretical model in which binding of small molecules, so-called allosteric effectors, affects reactivity by altering the equilibrium between more reactive (R) and less reactive (T) quaternary structures. In their model, each quaternary structure has a single reactivity. Here, we use silica gels ...

December 22, 2016 Type Package Title Identification of mutational clusters in protein quaternary structures. Version 1.6.0 Date 2014-09-25 Author Gregory Ryslik, Yuwei Cheng, Hongyu Zhao Maintainer Gregory Ryslik Description Identifies clustering of somatic mutations in proteins over the entire quaternary structure. License GPL-2 biocViews Clustering, Proteomics, Somat...

The dual activation of acyl phosphonates and formaldehyde tert-butyl hydrazone by a BINAM-derived bis-urea catalyst is the key to achieve high reactivities and enantioselectivities in the synthesis of densely functionalized quaternary α-hydroxy phosphonates. Subsequent high-yielding transformations in a 'one-pot' fashion provide direct access to valuable azoxy compounds and quaternary α-aryl-ph...

February 1, 2017 Type Package Title Identification of mutational clusters in protein quaternary structures. Version 1.6.0 Date 2014-09-25 Author Gregory Ryslik, Yuwei Cheng, Hongyu Zhao Maintainer Gregory Ryslik Description Identifies clustering of somatic mutations in proteins over the entire quaternary structure. License GPL-2 biocViews Clustering, Proteomics, Somati...

Main-chain chiral quaternary ammonium polymers were successfully synthesized by the quaternization polymerization of cinchonidine dimer with dihalides. The polymerization occurred smoothly under optimized conditions to give novel type of main-chain chiral quaternary ammonium polymers. The catalytic activity of the polymeric chiral organocatalysts was investigated on the asymmetric benzylation o...

Hemoglobin is the prototypic allosteric protein. Still, its molecular allosteric mechanism is not fully understood. To elucidate the mechanism of cooperativity on an atomistic level, we developed a novel computational technique to analyse the coupling of tertiary and quaternary motions. From Molecular Dynamics simulations showing spontaneous quaternary transitions, we separated the transition t...

Two series of rosin quaternary ammonium salts (QAS) were synthesized using the same path. The structure of the target products was characterized by HPLC, MS, IR, and 1 HNMR, and the bioactivity was determined by filter paper method using Trametes versicolor (white-rot fungus) and Gloeophyllum trabeum (brown-rot fungus), which are two kinds of general wood decay fungi in nature. The results show...

A dianionic Ireland-Claisen rearrangement of chiral, nonracemic α-methyl-β-hydroxy allylic esters has been developed that proceeds with high diastereoselectivity and provides products containing three contiguous stereogenic carbons, including a quaternary center. The potential utility of the rearrangement for complex molecule synthesis is also demonstrated.