Results 61 to 70 of about 167,316 (343)
Conformational free energies of methyl-$α$-L-iduronic and methyl-$β$-D-glucuronic acids in water [PDF]
J. Chem. Phys. 132, 104108 (2010), 2009 We present a simulation protocol that allows for efficient sampling of the degrees of freedom of a solute in explicit solvent. The protocol involves using a non-equilibrium umbrella sampling method, in this case the recently developed adaptively biased molecular dynamics method, to compute an approximate free energy for the slow modes of the solute in ...
arxiv +1 more source
The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases
Nature Communications, 2022 Barley β-d-glucan glucohydrolase is a glycoside hydrolase family 3 (GH3) enzyme critical for growth and development. Here the authors carryout mutagenesis, structural analyses and multi-scale molecular dynamics to examine the binding and conformational ...
Sukanya Luang +12 more
doaj +1 more source
Microbial Cell Factories, 2019 Backgroundα-Amylases specifically catalyse the hydrolysis of the internal α-1, 4-glucosidic linkages of starch. Glycoside hydrolase (GH) family 13 is the main α-amylase family in the carbohydrate-active database.
Laura Plaza-Vinuesa +4 more
semanticscholar +1 more source
Polysaccharide utilization loci and nutritional specialization in a dominant group of butyrate-producing human colonic Firmicutes [PDF]
, 2015 Acknowledgements The Rowett Institute of Nutrition and Health (University of Aberdeen) receives financial support from the Scottish Government Rural and Environmental Sciences and Analytical Services (RESAS).
Bernalier-Donadille, Annick +9 more
core +2 more sources
International Journal of Molecular Sciences, 2019 Glycoside hydrolase family 1 (GH1) β-glucosidases (BGLUs) are encoded by a large number of genes, and are involved in many developmental processes and stress responses in plants.
Xiangshu Dong, Yuan Jiang, Y. Hur
semanticscholar +1 more source
Substrate specificity, regiospecificity, and processivity in glycoside hydrolase family 74
Journal of Biological Chemistry, 2019 Glycoside hydrolase family 74 (GH74) is a historically important family of endo-β-glucanases. On the basis of early reports of detectable activity on cellulose and soluble cellulose derivatives, GH74 was originally considered to be a “cellulase” family ...
G. Arnal +8 more
semanticscholar +1 more source
Diffusion-based Molecule Generation with Informative Prior Bridges [PDF]
arXiv, 2022 AI-based molecule generation provides a promising approach to a large area of biomedical sciences and engineering, such as antibody design, hydrolase engineering, or vaccine development. Because the molecules are governed by physical laws, a key challenge is to incorporate prior information into the training procedure to generate high-quality and ...
arxiv
A nucleobase-centered coarse-grained representation for structure prediction of RNA motifs [PDF]
Nucleic Acids Res. 46, 1674 (2018), 2017 We introduce the SPlit-and-conQueR (SPQR) model, a coarse-grained representation of RNA designed for structure prediction and refinement. In our approach, the representation of a nucleotide consists of a point particle for the phosphate group and an anisotropic particle for the nucleoside.
arxiv +1 more source
Journal of Structural Biology: X, 2021 The termite Reticulitermes flavipes causes extensive damage due to the high efficiency and broad specificity of the ligno- and hemicellulolytic enzyme systems produced by its symbionts. Thus, the R.
Dayanand C. Kalyani +5 more
doaj
Frontiers in Microbiology, 2021 Bifidobacterium, an important genus for human health, is difficult to isolate. We applied metagenomics, pangenomics, and enzymology to determine the dominant glycoside hydrolase (GH) families of Bifidobacterium and designed selective medium for ...
Shuanghong Yang +12 more
doaj +1 more source