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Circular and linear dichroism of proteins.
Circular dichroism (CD) is an important technique in the structural characterisation of proteins, and especially for secondary structure determination. The CD of proteins can be calculated from firstExpand
DichroCalc - circular and linear dichroism online
TLDR
DichroCalc is the first web interface that makes circular dichroism (CD) spectroscopy calculations available for the use of non-theoreticians. Expand
Charge-transfer transitions in the vacuum-ultraviolet of protein circular dichroism spectra.
Circular dichroism (CD) is widely used in the structural characterization and secondary structure determination of proteins. The vacuum UV region (below 190 nm), where charge-transfer transitionsExpand
Circular and linear dichroism spectroscopy of proteins
Circular dichroism (CD) is an important technique in the structural characterization of proteins, and especially for secondary structure determination. The CD of proteins can be calculated from firstExpand
Ultraviolet spectroscopy of protein backbone transitions in aqueous solution: combined QM and MM simulations.
A generalized approach combining quantum mechanics (QM) and molecular mechanics (MM) calculations is developed to simulate the n --> pi* and pi --> pi* backbone transitions of proteins in aqueousExpand
Flow linear dichroism of some prototypical proteins.
Flow linear dichroism (LD) spectroscopy provides information on the orientation of molecules in solution and hence on the relative orientation of parts of molecules. Long molecules such as fibrousExpand
Simulation study of chiral two-dimensional ultraviolet spectroscopy of the protein backbone.
Amide n-pi* and pi-pi* excitations around 200 nm are prominent spectroscopic signatures of the protein backbone, which are routinely used in ultraviolet (UV) circular dichroism for structureExpand
Electronic structure and circular dichroism spectroscopy of naphthalenediimide nanotubes.
Amino acid derivatives of naphthalenediimide (NDI) form non-covalent polymers, which assemble into helical nanotubes through hydrogen bonding. The two enantiomers possess distinct circular dichroismExpand
Gymnoascolides A-C: aromatic butenolides from an Australian isolate of the soil ascomycete Gymnoascus reessii.
Three new aromatic butenolides, gymnoascolides A-C (1-3), have been isolated from the Australian soil ascomycete Gymnoascus reessii and assigned structures on the basis of detailed spectroscopicExpand
Simulation of two-dimensional ultraviolet spectroscopy of amyloid fibrils.
Revealing the structure and aggregation mechanism of amyloid fibrils is essential for the treatment of over 20 diseases related to protein misfolding. Coherent two-dimensional (2D) infraredExpand
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