Protein structure and dynamics
RosettaEPR: rotamer library for spin label structure and dynamics.
... of protein side chain degrees of freedom ...for protein structure prediction [16,19,20] and protein design ...experimentally and computationally observed correlated preferences ...
14
Effects of single nucleotide polymorphisms on human N-acetyltransferase 2 structure and dynamics by molecular dynamics simulation.
... the protein dynamics through multiple molecular dynamics simulations can help understand the effects of these mutations on the protein structure, which allows for investigating how one ...
12
Insight into the intermolecular recognition mechanism between Keap1 and IKKβ combining homology modelling, protein-protein docking, molecular dynamics simulations and virtual alanine mutation.
... O) and Gln40 (backbone O) form hydrogen bonds with Tyr525, Tyr574 and Tyr334 of Keap1, ...representative structure, Asn34 (side chain NH) form multiple hydrogen bonds with Tyr525 (side chain O) ...
13
IDENTIFICATION OF PHARMACOLOGICAL TARGETS COMBINING DOCKING AND MOLECULAR DYNAMICS SIMULATIONS
... receptor and ligand, result in flexibility in the receptor (Jiang and Kim, 1991; Gschwend et ...sampling and prevent the minimization barriers, consequently conferring flexibility to the system ...
18
Structure and dynamics of the membrane-bound cytochrome P450 2C9.
... details and functional relevance of the CYP-membrane interaction are not ...of protein-membrane complexes, we found two predominant orientations of CYP2C9 in the membrane, both consistent with experiments ...
14
Protein dynamics: hydration and cavities
... Foguel and co- workers (55), on the other hand, found that amyloid fibrils of full-length TTR and α- synuclein can be dissociated in the pressure range of 200-300 ...same protein at various stages of ...
9
Estudo estrutural da enzima purina nucleosídeo fosforilase (E.C. 2.4.2.1) de Mycobacterium tuberculosis
... crystallographic structure of ...Å and 1.95 Å, respectively, using recombinant MtPNP protein and Synchrotron radiation ...molecular dynamics (MD) simulations to provide detailed ...
108
Mitochondrial structure, function and dynamics are temporally controlled by c-Myc.
... major protein complexes that mediate a series of redox reactions involving electron transfer from donors (NADH, succinate and fatty acid oxidation products directly through coenzyme Q) to electroneg- ative ...
13
Structural Insights Reveal the Dynamics of the Repeating r(CAG) Transcript Found in Huntington's Disease (HD) and Spinocerebellar Ataxias (SCAs).
... (HD) and many spi- nocerebellar ataxias (SCAs) have been found to be associated with CAG trinucleotide repeat ...regulator protein MBNL1 (Muscleblind-like 1 protein) to expanded r(CAG) ...huntingtin ...
15
Membrane topology and cellular dynamics of foot-and-mouth disease virus 3A protein.
... predicted structure of FMDV 3A [9], different mutations were introduced to analyze their effect on the properties of this protein ...L38E and L41E that had been shown to destabilize the hydrophobic ...
12
IPET and FETR: experimental approach for studying molecular structure dynamics by cryo-electron tomography of a single-molecule structure.
... targeted protein molecule (the volume calculation is based on an estimated weight-to-volume ratio of ...largest and smallest masks by the following rule: The inverse values of these four volumes are evenly ...
19
Modern views on the structure and dynamics of biological membranes
... ranes and role of protein and lipid components are ...external and internal monolayers of plasma membranes is important for understanding membrane ...charge and potential, ion binding, ...
15
Model for the peptide-free conformation of class II MHC proteins.
... I and class II MHC proteins are similar, despite having different domain/subunit organizations and different modes of peptide binding ...I and class II MHC proteins ...[52,53] and class II MHC ...
10
Structure-based network analysis of activation mechanisms in the ErbB family of receptor tyrosine kinases: the regulatory spine residues are global mediators of structural stability and allosteric interactions.
... 85% and 90% of the total variance in the collective kinase motions, while the essential subspace covered by the first three lowest PCA modes typically accounted for at least 75% of atomic fluctuations in each ...
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PROTEIN STRUCTURE, RECEPTORS AND TRANSLOCATION ROUTES
... E1 and E3 were cytotoxic to oncogene v-myb-transformed chicken ...Chumchalova and Šmarda (personal communication) reported that colicins E1 and especially A inhibited 11 human tumor cell lines ...
11
Structure and dynamics of the shark assemblage off recife, northeastern Brazil
... ecosystems and promote ...longline and drumline survey conducted in nearshore waters off Recife, northeastern Brazil, allowed us to describe the shark assemblage and to monitor abundance ...
17
Automated builder and database of protein/membrane complexes for molecular dynamics simulations.
... a protein/ membrane system took 5 minutes to 2 hours depending on the system ...smallest protein and the largest protein in the testcases are PDB:1UYN (translocation domain of autotransporter ...
9
Influence of tungsten and titanium on the structure of chromium cast iron
... that structure of the chromium cast iron greatly depends on the additionally introduced elements such as titanium and ...tungsten and titanium may cause difficulties in the metallurgical process of ...
4
Processing and structure of laminated iron-intermetallics composites
... water and then with ethanol and dried rapidly, the foils were placed alternately to form multilayer sandwiches of iron/copper/titanium/copper/iron (5 Fe, 8 Cu and 4 Ti layers), which were then ...
6
Aminopeptidase de Mesorhizobium sp. descoberta por mineração de dados genômicos com aplicações biotecnológicas e seu impacto na fisiologia bacteriana
... Ridge and its unexpected adaptive capabilities to extreme ...Isomerase and Its Application to L -Talose ...Biotechnology and Biochemistry, ...
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